4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide

C14H18N2O2S2 — CID 106833406

IUPAC4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C14H18N2O2S2/c1-10-8-12(7-6-11(10)9-15)20(17,18)16-13-4-3-5-14(13)19-2/h6-8,13-14,16H,3-5H2,1-2H3
InChIKeyNQXSMPVFLGFJJN-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.43
Rot. Bonds4

About 4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide

4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide (PubChem CID 106833406) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
PubChem CID106833406
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C14H18N2O2S2/c1-10-8-12(7-6-11(10)9-15)20(17,18)16-13-4-3-5-14(13)19-2/h6-8,13-14,16H,3-5H2,1-2H3
InChIKeyNQXSMPVFLGFJJN-UHFFFAOYSA-N
XLogP2.43
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzenesulfonamide
CID 106833631
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
CID 103835706
4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
CID 106833491
4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106833488
3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 113498458
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001430
3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
CID 112689807
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-cyano-N-(1,1-dioxothiolan-3-yl)-3-methylbenzenesulfonamide
CID 106832865
4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106833286
3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172890

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide (CID 106833406) is 4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide is CSC1CCCC1NS(=O)(=O)c1ccc(C#N)c(C)c1.
What is the InChIKey of 4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The InChIKey is NQXSMPVFLGFJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10-8-12(7-6-11(10)9-15)20(17,18)16-13-4-3-5-14(13)19-2/h6-8,13-14,16H,3-5H2,1-2H3.
What are the key properties of 4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.43, 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-(2-methylsulfanylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 106833406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).