2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide

C11H14N2O2S2 — CID 113320190

IUPAC2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
SMILESCSC(C)CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C11H14N2O2S2/c1-9(16-2)8-13-17(14,15)11-6-4-3-5-10(11)7-12/h3-6,9,13H,8H2,1-2H3
InChIKeyBRDHXXWVNMSITB-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.59
Rot. Bonds5

About 2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide

2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 113320190) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
PubChem CID113320190
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
SMILESCSC(C)CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C11H14N2O2S2/c1-9(16-2)8-13-17(14,15)11-6-4-3-5-10(11)7-12/h3-6,9,13H,8H2,1-2H3
InChIKeyBRDHXXWVNMSITB-UHFFFAOYSA-N
XLogP1.59
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzenesulfonamide
CID 110403097
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide
CID 17464362
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653300
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 113318745
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113010
2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110357461
2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide
CID 110781168
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide (CID 113320190) is 2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide is CSC(C)CNS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is BRDHXXWVNMSITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-9(16-2)8-13-17(14,15)11-6-4-3-5-10(11)7-12/h3-6,9,13H,8H2,1-2H3.
What are the key properties of 2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide?
2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 270.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 113320190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).