N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide

C11H12ClN3O2S — CID 113370449

IUPACN-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C11H12ClN3O2S/c1-15(9-6-14-7-9)18(16,17)10-3-2-8(5-13)11(12)4-10/h2-4,9,14H,6-7H2,1H3
InChIKeyWCWJLOHOMBMVOI-UHFFFAOYSA-N
MW285.76 g/mol
LogP0.80
Rot. Bonds3

About N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide

N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide (PubChem CID 113370449) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
PubChem CID113370449
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC NameN-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C11H12ClN3O2S/c1-15(9-6-14-7-9)18(16,17)10-3-2-8(5-13)11(12)4-10/h2-4,9,14H,6-7H2,1H3
InChIKeyWCWJLOHOMBMVOI-UHFFFAOYSA-N
XLogP0.80
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
CID 107173032
4-chloro-3-cyano-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978766
3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102632222
3-chloro-4-cyano-N-methyl-N-propylbenzenesulfonamide
CID 112687657
3-chloro-4-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 115588788
3-chloro-4-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 115591023
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 106833025
3-chloro-4-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607226
3-chloro-4-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 112547861
3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide
CID 51092863
3-chloro-4-cyano-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356116
4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119966060

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide (CID 113370449) is N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide is CN(C1CNC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide?
The InChIKey is WCWJLOHOMBMVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-15(9-6-14-7-9)18(16,17)10-3-2-8(5-13)11(12)4-10/h2-4,9,14H,6-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide?
N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide has a molecular weight of 285.76 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide is sourced from PubChem (CID 113370449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).