N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide

C13H12N2O3S2 — CID 107468276

IUPACN-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C13H12N2O3S2/c1-9-6-7-12(19-9)20(16,17)15-13-10(8-14)4-3-5-11(13)18-2/h3-7,15H,1-2H3
InChIKeyUUARXIYEYUTLEY-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.74
Rot. Bonds4

About N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide

N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide (PubChem CID 107468276) has the molecular formula C13H12N2O3S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide
PubChem CID107468276
Molecular FormulaC13H12N2O3S2
Molecular Weight308.38 g/mol
Exact Mass308.03
IUPAC NameN-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C13H12N2O3S2/c1-9-6-7-12(19-9)20(16,17)15-13-10(8-14)4-3-5-11(13)18-2/h3-7,15H,1-2H3
InChIKeyUUARXIYEYUTLEY-UHFFFAOYSA-N
XLogP2.74
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 107467349
N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
CID 107468255
1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide
CID 107468261
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 107468239
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
CID 107468277
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180
N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
CID 82708384
methyl 3-[(2-cyano-6-methoxyphenyl)sulfamoyl]propanoate
CID 107468233
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 87032979
N-[4-(2-methoxyphenoxy)but-2-ynyl]-5-methylthiophene-2-sulfonamide
CID 71802970

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide (CID 107468276) is N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide is COc1cccc(C#N)c1NS(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is UUARXIYEYUTLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S2/c1-9-6-7-12(19-9)20(16,17)15-13-10(8-14)4-3-5-11(13)18-2/h3-7,15H,1-2H3.
What are the key properties of N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide?
N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 107468276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).