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1,3-bis(4-methylbenzenesulfonyl)urea

1,3-bis(4-methylbenzenesulfonyl)urea

CAS: 5219-81-8

Formula: C15H16N2O5S2

SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1

IUPAC: 1,3-bis(4-methylbenzenesulfonyl)urea

InChI: InChI=1S/C15H16N2O5S2/c1-11-3-7-13(8-4-11)23(19,20)16-15(18)17-24(21,22)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18)

Composition: C (48.90%), H (4.38%), N (7.60%), O (21.71%), S (17.40%)

Molar Mass: 368.42

Atom Count: 40

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 368.050063971
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey YBLWHGQKHHKWRU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.86
Topological Polar Surface Area 109.41
Polarizability 35.99
Ring Count 2
Rotatable Bond Count 2

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