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N-[4-({3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-oxoprop-1-en-1-yl}amino)benzenesulfonyl]guanidine

N-[4-({3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-oxoprop-1-en-1-yl}amino)benzenesulfonyl]guanidine

CAS: 1211985-68-0

Formula: C19H16ClN5O3S2

SMILES: NC(=N)NS(=O)(=O)C1=CC=C(NC=CC(=O)C2=CN=C(S2)C2=CC=C(Cl)C=C2)C=C1

IUPAC: N-[4-({3-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-oxoprop-1-en-1-yl}amino)benzenesulfonyl]guanidine

InChI: InChI=1S/C19H16ClN5O3S2/c20-13-3-1-12(2-4-13)18-24-11-17(29-18)16(26)9-10-23-14-5-7-15(8-6-14)30(27,28)25-19(21)22/h1-11,23H,(H4,21,22,25)

Composition: C (49.40%), H (3.49%), Cl (7.67%), N (15.16%), O (10.39%), S (13.88%)

Molar Mass: 461.94

Atom Count: 46

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 461.0383094
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 4
InChIKey QSLDQGRTPYDPMR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 138.97
Topological Polar Surface Area 138.03
Polarizability 45.38
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1211985-68-0 $51.35-$86.31$51.35$63.37$86.31
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