2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C11H10ClNO2S2 — CID 3732014

IUPAC2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C11H10ClNO2S2/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2
InChIKeyJIKFXLBGLIAMKQ-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.88
Rot. Bonds4

About 2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide

2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 3732014) has the molecular formula C11H10ClNO2S2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID3732014
Molecular FormulaC11H10ClNO2S2
Molecular Weight287.79 g/mol
Exact Mass286.98
IUPAC Name2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C11H10ClNO2S2/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2
InChIKeyJIKFXLBGLIAMKQ-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 846308
4-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518719
4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519190
Benzenesulfonamide, N-(2-thienylmethyl)-
CID 2820601
2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 2820267
5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 3822285
4-chloro-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4792768
5-Chloro-thiophene-2-sulfonic acid 4-methyl-benzylamide
CID 893794
3-chloro-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 25869464
1-[(2-Chlorophenyl)sulfonyl]-2-(2-thienyl)pyrrolidine
CID 20895702
N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 971284
4-chloro-N-[2-(4-fluorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 16829664

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 3732014) is 2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccs1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is JIKFXLBGLIAMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S2/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2.
What are the key properties of 2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 287.79 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3732014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).