4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine

C13H19ClN2O2S — CID 79724159

IUPAC4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
SMILESCS(=O)(=O)c1ccc(Cl)c(NC2CCC(N)CC2)c1
InChIInChI=1S/C13H19ClN2O2S/c1-19(17,18)11-6-7-12(14)13(8-11)16-10-4-2-9(15)3-5-10/h6-10,16H,2-5,15H2,1H3
InChIKeyCQGACOJQNVJVOZ-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.43
Rot. Bonds3

About 4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine

4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine (PubChem CID 79724159) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
PubChem CID79724159
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
SMILESCS(=O)(=O)c1ccc(Cl)c(NC2CCC(N)CC2)c1
InChIInChI=1S/C13H19ClN2O2S/c1-19(17,18)11-6-7-12(14)13(8-11)16-10-4-2-9(15)3-5-10/h6-10,16H,2-5,15H2,1H3
InChIKeyCQGACOJQNVJVOZ-UHFFFAOYSA-N
XLogP2.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-methylsulfonylaniline
CID 43682135
2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63426890
N-(2-chloro-5-methylsulfonylphenyl)thian-4-amine
CID 43682189
2-chloro-N-(3,4-dimethylcyclohexyl)-5-methylsulfonylaniline
CID 64733775
2-chloro-N-(3-methoxycyclobutyl)-5-methylsulfonylaniline
CID 106821322
N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561157
N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine
CID 65074551
4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 106594205
4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
CID 79741139
3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 66008930
4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine (CID 79724159) is 4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine is CS(=O)(=O)c1ccc(Cl)c(NC2CCC(N)CC2)c1.
What is the InChIKey of 4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine?
The InChIKey is CQGACOJQNVJVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-19(17,18)11-6-7-12(14)13(8-11)16-10-4-2-9(15)3-5-10/h6-10,16H,2-5,15H2,1H3.
What are the key properties of 4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine?
4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine has a molecular weight of 302.83 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79724159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).