2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide

C15H19ClN2O2S — CID 80697368

IUPAC2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C15H19ClN2O2S/c1-2-18(13-6-4-3-5-7-13)21(19,20)15-10-12(11-17)8-9-14(15)16/h8-10,13H,2-7H2,1H3
InChIKeyWJRBDYRBEDDKBJ-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.55
Rot. Bonds4

About 2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide

2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide (PubChem CID 80697368) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
PubChem CID80697368
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C15H19ClN2O2S/c1-2-18(13-6-4-3-5-7-13)21(19,20)15-10-12(11-17)8-9-14(15)16/h8-10,13H,2-7H2,1H3
InChIKeyWJRBDYRBEDDKBJ-UHFFFAOYSA-N
XLogP3.55
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide
CID 80697349
2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 1178561
2,3,4-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 50876130
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide
CID 80693301
2-chloro-5-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 80697087
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
4-chloro-3-(2-ethylazepan-1-yl)sulfonylbenzonitrile
CID 104689863
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
CID 897007
2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide
CID 103989018
5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
CID 80578771
2-chloro-5-cyano-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112659609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide (CID 80697368) is 2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl.
What is the InChIKey of 2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide?
The InChIKey is WJRBDYRBEDDKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-2-18(13-6-4-3-5-7-13)21(19,20)15-10-12(11-17)8-9-14(15)16/h8-10,13H,2-7H2,1H3.
What are the key properties of 2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide?
2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide has a molecular weight of 326.85 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide is sourced from PubChem (CID 80697368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).