3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C12H12BrNO2S2 — CID 3793268

IUPAC3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C12H12BrNO2S2/c13-10-3-1-5-12(9-10)18(15,16)14-7-6-11-4-2-8-17-11/h1-5,8-9,14H,6-7H2
InChIKeyKKACUPLHFNMHCZ-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.03
Rot. Bonds5

About 3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide

3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 3793268) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID3793268
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC Name3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C12H12BrNO2S2/c13-10-3-1-5-12(9-10)18(15,16)14-7-6-11-4-2-8-17-11/h1-5,8-9,14H,6-7H2
InChIKeyKKACUPLHFNMHCZ-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43257668
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 50839105
2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145049
N-cyclopentyl-3-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 72938546
N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide
CID 110789741
3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2551997
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114132189
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 3793268) is 3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(NCCc1cccs1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is KKACUPLHFNMHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c13-10-3-1-5-12(9-10)18(15,16)14-7-6-11-4-2-8-17-11/h1-5,8-9,14H,6-7H2.
What are the key properties of 3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 346.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3793268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).