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

C12H13NO2S2 — CID 2804541

IUPAC4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C12H13NO2S2/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-8,13H,9H2,1H3
InChIKeyIIAQNUXMYLXCIK-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.54
Rot. Bonds4

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

4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 2804541) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID2804541
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C12H13NO2S2/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-8,13H,9H2,1H3
InChIKeyIIAQNUXMYLXCIK-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 2804541) is 4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is IIAQNUXMYLXCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-8,13H,9H2,1H3.
What are the key properties of 4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 267.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2804541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).