2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide

C12H15ClN2O2S — CID 103989310

IUPAC2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C12H15ClN2O2S/c1-4-15(9(2)3)18(16,17)12-6-5-10(8-14)7-11(12)13/h5-7,9H,4H2,1-3H3
InChIKeyDJYXGTNJUPVYDZ-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.63
Rot. Bonds4

About 2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide

2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 103989310) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID103989310
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C12H15ClN2O2S/c1-4-15(9(2)3)18(16,17)12-6-5-10(8-14)7-11(12)13/h5-7,9H,4H2,1-3H3
InChIKeyDJYXGTNJUPVYDZ-UHFFFAOYSA-N
XLogP2.63
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-cyano-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 103989122
2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide
CID 75451266
4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441
2-chloro-4-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 103989140
3-chloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylbenzonitrile
CID 58394684
2-chloro-4-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 103989351
2-chloro-4-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 103990035
2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide
CID 103989018
2-chloro-4-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 103990016
3-chloro-4-(3-chloro-2-methylpropyl)sulfonylbenzonitrile
CID 66104910
methyl 3-[(2-chloro-4-cyanophenyl)sulfonyl-ethylamino]propanoate
CID 103989148
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide (CID 103989310) is 2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide is CCN(C(C)C)S(=O)(=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is DJYXGTNJUPVYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-4-15(9(2)3)18(16,17)12-6-5-10(8-14)7-11(12)13/h5-7,9H,4H2,1-3H3.
What are the key properties of 2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide?
2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 286.78 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 103989310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).