N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide

C14H21ClN2O2S — CID 43744752

IUPACN-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide
SMILESCC1CCCCC1Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10-5-3-4-6-13(10)16-11-7-8-14(12(15)9-11)17-20(2,18)19/h7-10,13,16-17H,3-6H2,1-2H3
InChIKeyPNMAKQMAPJKJJN-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.70
Rot. Bonds4

About N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide

N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide (PubChem CID 43744752) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide
PubChem CID43744752
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide
SMILESCC1CCCCC1Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10-5-3-4-6-13(10)16-11-7-8-14(12(15)9-11)17-20(2,18)19/h7-10,13,16-17H,3-6H2,1-2H3
InChIKeyPNMAKQMAPJKJJN-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide
CID 106594192
4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
CID 107619202
N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide
CID 65070285
2-chloro-4-[(2-methylcyclopentyl)amino]phenol
CID 107678036
N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
CID 43713517
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide
CID 86882759
N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
CID 43708204

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide (CID 43744752) is N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide is CC1CCCCC1Nc1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide?
The InChIKey is PNMAKQMAPJKJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10-5-3-4-6-13(10)16-11-7-8-14(12(15)9-11)17-20(2,18)19/h7-10,13,16-17H,3-6H2,1-2H3.
What are the key properties of N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide?
N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 43744752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).