4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide

C14H14N2O2S2 — CID 106833079

IUPAC4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C#N)c(C)c2)s1
InChIInChI=1S/C14H14N2O2S2/c1-10-7-14(6-4-12(10)8-15)20(17,18)16-9-13-5-3-11(2)19-13/h3-7,16H,9H2,1-2H3
InChIKeyFMOFOMSVKXPYTJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.72
Rot. Bonds4

About 4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide

4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 106833079) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID106833079
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C#N)c(C)c2)s1
InChIInChI=1S/C14H14N2O2S2/c1-10-7-14(6-4-12(10)8-15)20(17,18)16-9-13-5-3-11(2)19-13/h3-7,16H,9H2,1-2H3
InChIKeyFMOFOMSVKXPYTJ-UHFFFAOYSA-N
XLogP2.72
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-cyano-3-methylbenzenesulfonamide
CID 106832859
2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057216
4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 106833060
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
N-[(4-chlorophenyl)methyl]-4-cyano-3-methylbenzenesulfonamide
CID 106832854
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
4-cyano-N-(2-methoxy-2-methylpropyl)-3-methylbenzenesulfonamide
CID 106833407
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
N-but-3-ynyl-4-cyano-3-methylbenzenesulfonamide
CID 106833285
3-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 61072894
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 106833079) is 4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(C#N)c(C)c2)s1.
What is the InChIKey of 4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is FMOFOMSVKXPYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-10-7-14(6-4-12(10)8-15)20(17,18)16-9-13-5-3-11(2)19-13/h3-7,16H,9H2,1-2H3.
What are the key properties of 4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide?
4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of 2.72, 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-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106833079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).