N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide

C14H20ClNO2S — CID 65032886

IUPACN-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1CCCCC1Cl
InChIInChI=1S/C14H20ClNO2S/c15-14-9-5-4-8-13(14)10-16-19(17,18)11-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2
InChIKeyASMLGNPJXUYEOZ-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.90
Rot. Bonds5

About N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide

N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide (PubChem CID 65032886) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide
PubChem CID65032886
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1CCCCC1Cl
InChIInChI=1S/C14H20ClNO2S/c15-14-9-5-4-8-13(14)10-16-19(17,18)11-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2
InChIKeyASMLGNPJXUYEOZ-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(2-chlorocyclohexyl)methyl]benzenesulfonamide
CID 65032937
N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide
CID 65032688
4-[(benzylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525485
N-[(2-chlorocyclohexyl)methyl]cyclopentanesulfonamide
CID 105361712
1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
N-(2-adamantylmethyl)-1-phenylmethanesulfonamide
CID 134195096
N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide
CID 114294608
N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide
CID 110752104
N-[(2-chlorocyclohexyl)methyl]-3-phenoxypropan-1-amine
CID 65024952
N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521739
3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid
CID 107416749
1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107417773

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide (CID 65032886) is N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCC1CCCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is ASMLGNPJXUYEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c15-14-9-5-4-8-13(14)10-16-19(17,18)11-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2.
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide?
N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 301.84 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 65032886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).