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3-bromo-N-pentylbenzene-1-sulfonamide

3-bromo-N-pentylbenzene-1-sulfonamide

CAS: 1072944-95-6

Formula: C11H16BrNO2S

SMILES: CCCCCNS(=O)(=O)C1=CC=CC(Br)=C1

IUPAC: 3-bromo-N-pentylbenzene-1-sulfonamide

InChI: InChI=1S/C11H16BrNO2S/c1-2-3-4-8-13-16(14,15)11-7-5-6-10(12)9-11/h5-7,9,13H,2-4,8H2,1H3

Composition: C (43.15%), H (5.27%), Br (26.09%), N (4.57%), O (10.45%), S (10.47%)

Molar Mass: 306.22

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 305.008513
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JNKMWBVQCVFSJI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.21
Topological Polar Surface Area 46.17
Polarizability 27.62
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1072944-95-6 $300.15-$952.20$300.15$952.20
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