N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide

C15H12BrNO2S2 — CID 3866288

IUPACN-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide
SMILESO=S(=O)(NCc1csc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO2S2/c16-12-5-7-13(8-6-12)21(18,19)17-9-11-10-20-15-4-2-1-3-14(11)15/h1-8,10,17H,9H2
InChIKeyZMUAPMKVGVSNCT-UHFFFAOYSA-N
MW382.30 g/mol
LogP4.14
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide

N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide (PubChem CID 3866288) has the molecular formula C15H12BrNO2S2 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide
PubChem CID3866288
Molecular FormulaC15H12BrNO2S2
Molecular Weight382.30 g/mol
Exact Mass380.95
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide
SMILESO=S(=O)(NCc1csc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO2S2/c16-12-5-7-13(8-6-12)21(18,19)17-9-11-10-20-15-4-2-1-3-14(11)15/h1-8,10,17H,9H2
InChIKeyZMUAPMKVGVSNCT-UHFFFAOYSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Bromobenzo[b]thiophen-3-yl)methanamine
CID 7537503
N-[(4-bromo-1-benzothien-3-yl)methyl]sulfamide
CID 11623927
4-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518728
N-(2-bromobenzyl)-2-thiophenesulfonamide
CID 1246435
N-(1-benzothiophen-3-ylmethyl)-4-fluorobenzenesulfonamide
CID 2826148
N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 3802406
N-[6-[(4-bromophenyl)methylamino]hexyl]-1-benzothiophene-6-sulfonamide
CID 168269615
N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide
CID 2826167
N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3819537
N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide
CID 4995927
N-[(5-bromo-1-benzothien-3-yl)methyl]sulfamide
CID 11666911
N-(1-benzothiophen-3-ylmethyl)-2-fluorobenzenesulfonamide
CID 141518725

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide (CID 3866288) is N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide is O=S(=O)(NCc1csc2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide?
The InChIKey is ZMUAPMKVGVSNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S2/c16-12-5-7-13(8-6-12)21(18,19)17-9-11-10-20-15-4-2-1-3-14(11)15/h1-8,10,17H,9H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide?
N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide has a molecular weight of 382.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide is sourced from PubChem (CID 3866288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).