2-chloro-N-cyclohexyl-5-methylsulfonylaniline

C13H18ClNO2S — CID 43682135

IUPAC2-chloro-N-cyclohexyl-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(Cl)c(NC2CCCCC2)c1
InChIInChI=1S/C13H18ClNO2S/c1-18(16,17)11-7-8-12(14)13(9-11)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyUGUGAQHLHOJEAL-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.49
Rot. Bonds3

About 2-chloro-N-cyclohexyl-5-methylsulfonylaniline

2-chloro-N-cyclohexyl-5-methylsulfonylaniline (PubChem CID 43682135) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-methylsulfonylaniline
PubChem CID43682135
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name2-chloro-N-cyclohexyl-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(Cl)c(NC2CCCCC2)c1
InChIInChI=1S/C13H18ClNO2S/c1-18(16,17)11-7-8-12(14)13(9-11)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyUGUGAQHLHOJEAL-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
CID 79724159
N-(2-chloro-5-methylsulfonylphenyl)thian-4-amine
CID 43682189
N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858
2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63426890
N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine
CID 65074551
2-chloro-N-(3-methoxycyclobutyl)-5-methylsulfonylaniline
CID 106821322
2-chloro-N-(3,4-dimethylcyclohexyl)-5-methylsulfonylaniline
CID 64733775
2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561157
N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
CID 43708204
N-(5-bromo-2-chlorophenyl)cycloheptanamine
CID 63477399
4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 106594205

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-methylsulfonylaniline?
The IUPAC name of 2-chloro-N-cyclohexyl-5-methylsulfonylaniline (CID 43682135) is 2-chloro-N-cyclohexyl-5-methylsulfonylaniline.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-methylsulfonylaniline?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-methylsulfonylaniline is CS(=O)(=O)c1ccc(Cl)c(NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-methylsulfonylaniline?
The InChIKey is UGUGAQHLHOJEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-18(16,17)11-7-8-12(14)13(9-11)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-5-methylsulfonylaniline?
2-chloro-N-cyclohexyl-5-methylsulfonylaniline has a molecular weight of 287.81 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-methylsulfonylaniline is sourced from PubChem (CID 43682135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).