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

C13H19ClN2O3S — CID 106594192

IUPACN-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NC2CCC(O)CC2)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-20(18,19)16-13-7-4-10(8-12(13)14)15-9-2-5-11(17)6-3-9/h4,7-9,11,15-17H,2-3,5-6H2,1H3
InChIKeyZIJNODWISHSNFP-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.43
Rot. Bonds4

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

N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide (PubChem CID 106594192) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide
PubChem CID106594192
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NC2CCC(O)CC2)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-20(18,19)16-13-7-4-10(8-12(13)14)15-9-2-5-11(17)6-3-9/h4,7-9,11,15-17H,2-3,5-6H2,1H3
InChIKeyZIJNODWISHSNFP-UHFFFAOYSA-N
XLogP2.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide
CID 65070285
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide
CID 43744752
N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
CID 79723981
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide
CID 43741204
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-cyclopentyloxy-2-phenylacetamide
CID 86882759
N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
CID 43708204
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66008946
N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
CID 43744787

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide (CID 106594192) is N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NC2CCC(O)CC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide?
The InChIKey is ZIJNODWISHSNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-20(18,19)16-13-7-4-10(8-12(13)14)15-9-2-5-11(17)6-3-9/h4,7-9,11,15-17H,2-3,5-6H2,1H3.
What are the key properties of N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide?
N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 106594192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).