2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide

C13H12N2O2S2 — CID 62057216

IUPAC2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2C#N)s1
InChIInChI=1S/C13H12N2O2S2/c1-10-6-7-12(18-10)9-15-19(16,17)13-5-3-2-4-11(13)8-14/h2-7,15H,9H2,1H3
InChIKeyYZSHECOLRDHKAL-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.41
Rot. Bonds4

About 2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide

2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 62057216) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID62057216
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC Name2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2C#N)s1
InChIInChI=1S/C13H12N2O2S2/c1-10-6-7-12(18-10)9-15-19(16,17)13-5-3-2-4-11(13)8-14/h2-7,15H,9H2,1H3
InChIKeyYZSHECOLRDHKAL-UHFFFAOYSA-N
XLogP2.41
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739071
4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 106833079
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 28615853
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 110782386
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43715254
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873488

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 62057216) is 2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccccc2C#N)s1.
What is the InChIKey of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is YZSHECOLRDHKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-10-6-7-12(18-10)9-15-19(16,17)13-5-3-2-4-11(13)8-14/h2-7,15H,9H2,1H3.
What are the key properties of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 292.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62057216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).