3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide

C13H13ClN2O3S2 — CID 51364506

IUPAC3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O3S2/c1-15-13(17)12-11(7-8-20-12)16(2)21(18,19)10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,17)
InChIKeyWJNXKNUCFKCIIB-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.59
Rot. Bonds4

About 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide

3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide (PubChem CID 51364506) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide
PubChem CID51364506
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC Name3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O3S2/c1-15-13(17)12-11(7-8-20-12)16(2)21(18,19)10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,17)
InChIKeyWJNXKNUCFKCIIB-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide (CID 51364506) is 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide is CNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide?
The InChIKey is WJNXKNUCFKCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-15-13(17)12-11(7-8-20-12)16(2)21(18,19)10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,17).
What are the key properties of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide?
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 51364506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).