3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide

C13H15ClN2O2S — CID 115690473

IUPAC3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCC2CCC2)cc1Cl
InChIInChI=1S/C13H15ClN2O2S/c14-13-8-12(5-4-11(13)9-15)19(17,18)16-7-6-10-2-1-3-10/h4-5,8,10,16H,1-3,6-7H2
InChIKeyBVEABGQBKQJVRR-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.68
Rot. Bonds5

About 3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide

3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide (PubChem CID 115690473) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
PubChem CID115690473
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCC2CCC2)cc1Cl
InChIInChI=1S/C13H15ClN2O2S/c14-13-8-12(5-4-11(13)9-15)19(17,18)16-7-6-10-2-1-3-10/h4-5,8,10,16H,1-3,6-7H2
InChIKeyBVEABGQBKQJVRR-UHFFFAOYSA-N
XLogP2.68
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-cyano-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972674
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
CID 106442080
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea
CID 112691993
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
CID 60734449
3-chloro-4-cyano-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737647
3-chloro-4-cyano-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628680
3-chloro-4-cyano-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 51115598
N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 75431033

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide (CID 115690473) is 3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCC2CCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide?
The InChIKey is BVEABGQBKQJVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-13-8-12(5-4-11(13)9-15)19(17,18)16-7-6-10-2-1-3-10/h4-5,8,10,16H,1-3,6-7H2.
What are the key properties of 3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide?
3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide has a molecular weight of 298.80 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide is sourced from PubChem (CID 115690473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).