N-(3,5-dimethylphenyl)thiophene-2-sulfonamide

C12H13NO2S2 — CID 765841

IUPACN-(3,5-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H13NO2S2/c1-9-6-10(2)8-11(7-9)13-17(14,15)12-4-3-5-16-12/h3-8,13H,1-2H3
InChIKeyOTPHHUDMBMHMDE-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.17
Rot. Bonds3

About N-(3,5-dimethylphenyl)thiophene-2-sulfonamide

N-(3,5-dimethylphenyl)thiophene-2-sulfonamide (PubChem CID 765841) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)thiophene-2-sulfonamide
PubChem CID765841
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC NameN-(3,5-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H13NO2S2/c1-9-6-10(2)8-11(7-9)13-17(14,15)12-4-3-5-16-12/h3-8,13H,1-2H3
InChIKeyOTPHHUDMBMHMDE-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)thiophene-2-sulfonamide (CID 765841) is N-(3,5-dimethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)thiophene-2-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)thiophene-2-sulfonamide?
The InChIKey is OTPHHUDMBMHMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-9-6-10(2)8-11(7-9)13-17(14,15)12-4-3-5-16-12/h3-8,13H,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)thiophene-2-sulfonamide?
N-(3,5-dimethylphenyl)thiophene-2-sulfonamide has a molecular weight of 267.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 765841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).