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

C11H10BrNO2S2 — CID 887265

IUPAC4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO2S2/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8H2
InChIKeyMXSJEJIYFFPEMO-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.99
Rot. Bonds4

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

4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 887265) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID887265
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC Name4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO2S2/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8H2
InChIKeyMXSJEJIYFFPEMO-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 5305628
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-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 894103
4-bromo-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 24464991
US10807974, Example 4
CID 130345148
2-Thiophenesulfonamide,5-[(4-bromophenyl)thio]-
CID 12736856
2-Thiophenesulfonamide,5-[(4-bromophenyl)sulfinyl]-
CID 12736876

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 887265) is 4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccs1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MXSJEJIYFFPEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8H2.
What are the key properties of 4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 332.24 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 887265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).