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

C12H12BrNO2S2 — CID 5305628

IUPAC4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrNO2S2/c13-10-3-5-12(6-4-10)18(15,16)14-8-7-11-2-1-9-17-11/h1-6,9,14H,7-8H2
InChIKeyJZGUDWYUWSGPAE-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.03
Rot. Bonds5

About 4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 5305628) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID5305628
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC Name4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrNO2S2/c13-10-3-5-12(6-4-10)18(15,16)14-8-7-11-2-1-9-17-11/h1-6,9,14H,7-8H2
InChIKeyJZGUDWYUWSGPAE-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

4-bromo-N-(2-thienylmethyl)benzenesulfonamide
CID 887265
5-bromo-N-(2-phenylethyl)-2-thiophenesulfonamide
CID 848219
4-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518728
4-bromo-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519183
4-bromo-N-propyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519194
Benzenesulfonamide, N-(2-thienylmethyl)-
CID 2820601
N-(2-bromobenzyl)-2-thiophenesulfonamide
CID 1246435
N-[2-(phenylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 2894259
US10807974, Example 4
CID 130345148
2-(4-Bromobenzenesulfonyl)ethan-1-amine hydrochloride
CID 69014064
4-bromo-2-ethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3736406
2-Thiophenesulfonamide,5-[(4-bromophenyl)thio]-
CID 12736856

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 5305628) is 4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(NCCc1cccs1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is JZGUDWYUWSGPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c13-10-3-5-12(6-4-10)18(15,16)14-8-7-11-2-1-9-17-11/h1-6,9,14H,7-8H2.
What are the key properties of 4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-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 4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 5305628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).