5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide

C13H14ClNO2S2 — CID 47310817

IUPAC5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide
SMILESCc1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C13H14ClNO2S2/c1-9-4-5-10(2)11(8-9)15(3)19(16,17)13-7-6-12(14)18-13/h4-8H,1-3H3
InChIKeyCNZHCKUALVTRQN-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.84
Rot. Bonds3

About 5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide

5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide (PubChem CID 47310817) has the molecular formula C13H14ClNO2S2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide
PubChem CID47310817
Molecular FormulaC13H14ClNO2S2
Molecular Weight315.85 g/mol
Exact Mass315.02
IUPAC Name5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide
SMILESCc1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C13H14ClNO2S2/c1-9-4-5-10(2)11(8-9)15(3)19(16,17)13-7-6-12(14)18-13/h4-8H,1-3H3
InChIKeyCNZHCKUALVTRQN-UHFFFAOYSA-N
XLogP3.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide (CID 47310817) is 5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide is Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is CNZHCKUALVTRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S2/c1-9-4-5-10(2)11(8-9)15(3)19(16,17)13-7-6-12(14)18-13/h4-8H,1-3H3.
What are the key properties of 5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 315.85 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 47310817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).