2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide

C12H15ClN2O2S — CID 103989185

IUPAC2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C12H15ClN2O2S/c1-12(2,3)8-15-18(16,17)11-5-4-9(7-14)6-10(11)13/h4-6,15H,8H2,1-3H3
InChIKeyITNDQINFWALOIR-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.54
Rot. Bonds3

About 2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide

2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide (PubChem CID 103989185) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
PubChem CID103989185
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C12H15ClN2O2S/c1-12(2,3)8-15-18(16,17)11-5-4-9(7-14)6-10(11)13/h4-6,15H,8H2,1-3H3
InChIKeyITNDQINFWALOIR-UHFFFAOYSA-N
XLogP2.54
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-cyano-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114942473
2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102697491
2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 103989437
2-chloro-4-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 75475351
N-but-3-yn-2-yl-2-chloro-4-cyanobenzenesulfonamide
CID 114419165
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-chloro-4-cyanobenzenesulfonamide
CID 103989367
N-(2-butoxyethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 103989243
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 103989875
3-[(2-chloro-4-cyanophenyl)sulfonylamino]-3-methylbutanamide
CID 104600873
2-[[2-[(2-chloro-4-cyanophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 103988510
2-chloro-4-cyano-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 103989029
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide (CID 103989185) is 2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide is CC(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide?
The InChIKey is ITNDQINFWALOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-12(2,3)8-15-18(16,17)11-5-4-9(7-14)6-10(11)13/h4-6,15H,8H2,1-3H3.
What are the key properties of 2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide?
2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide has a molecular weight of 286.78 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide is sourced from PubChem (CID 103989185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).