3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide

C13H15ClN2O2S — CID 115673536

IUPAC3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCC1
InChIInChI=1S/C13H15ClN2O2S/c1-2-13(6-3-7-13)16-19(17,18)11-5-4-10(9-15)12(14)8-11/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyCLSZXXRVHSUMKM-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.82
Rot. Bonds4

About 3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide

3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide (PubChem CID 115673536) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide
PubChem CID115673536
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCC1
InChIInChI=1S/C13H15ClN2O2S/c1-2-13(6-3-7-13)16-19(17,18)11-5-4-10(9-15)12(14)8-11/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyCLSZXXRVHSUMKM-UHFFFAOYSA-N
XLogP2.82
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902881
3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide
CID 106612674
3-chloro-4-cyano-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737647
1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 115776568
3-chloro-4-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 107270940
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 75431033
3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 47309988
3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide
CID 126826642

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide (CID 115673536) is 3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide is CCC1(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCC1.
What is the InChIKey of 3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide?
The InChIKey is CLSZXXRVHSUMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-2-13(6-3-7-13)16-19(17,18)11-5-4-10(9-15)12(14)8-11/h4-5,8,16H,2-3,6-7H2,1H3.
What are the key properties of 3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide?
3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide has a molecular weight of 298.80 g/mol, XLogP of 2.82, 4 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-(1-ethylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 115673536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).