4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C13H12N2O2S2 — CID 106833060

IUPAC4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccsc2)ccc1C#N
InChIInChI=1S/C13H12N2O2S2/c1-10-6-13(3-2-12(10)7-14)19(16,17)15-8-11-4-5-18-9-11/h2-6,9,15H,8H2,1H3
InChIKeyGHWOCSUNNUJFMG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.41
Rot. Bonds4

About 4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 106833060) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID106833060
Molecular FormulaC13H12N2O2S2
Molecular Weight292.38 g/mol
Exact Mass292.03
IUPAC Name4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccsc2)ccc1C#N
InChIInChI=1S/C13H12N2O2S2/c1-10-6-13(3-2-12(10)7-14)19(16,17)15-8-11-4-5-18-9-11/h2-6,9,15H,8H2,1H3
InChIKeyGHWOCSUNNUJFMG-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 ≤ 500292.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-cyano-3-methylbenzenesulfonamide
CID 106832859
N-[(4-chlorophenyl)methyl]-4-cyano-3-methylbenzenesulfonamide
CID 106832854
4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 106833079
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 115588783
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
N-but-3-ynyl-4-cyano-3-methylbenzenesulfonamide
CID 106833285
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452
4-cyano-3-methyl-N-octylbenzenesulfonamide
CID 106919852
3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 55175261

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 106833060) is 4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ccsc2)ccc1C#N.
What is the InChIKey of 4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is GHWOCSUNNUJFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-10-6-13(3-2-12(10)7-14)19(16,17)15-8-11-4-5-18-9-11/h2-6,9,15H,8H2,1H3.
What are the key properties of 4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 292.38 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 4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106833060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).