4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C12H12BrNO2S2 — CID 62844441

IUPAC4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)c1ccsc1
InChIInChI=1S/C12H12BrNO2S2/c1-9(10-6-7-17-8-10)14-18(15,16)12-4-2-11(13)3-5-12/h2-9,14H,1H3
InChIKeyAVTPPRPQWSJMKO-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.55
Rot. Bonds4

About 4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide

4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 62844441) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID62844441
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC Name4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)c1ccsc1
InChIInChI=1S/C12H12BrNO2S2/c1-9(10-6-7-17-8-10)14-18(15,16)12-4-2-11(13)3-5-12/h2-9,14H,1H3
InChIKeyAVTPPRPQWSJMKO-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 55130085
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 62844793
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 62841892
2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide
CID 79203391
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301
2-chloro-4-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 107090063
3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 116791823

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 62844441) is 4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccsc1.
What is the InChIKey of 4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is AVTPPRPQWSJMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c1-9(10-6-7-17-8-10)14-18(15,16)12-4-2-11(13)3-5-12/h2-9,14H,1H3.
What are the key properties of 4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 346.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62844441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).