N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide

C15H22ClNO2S — CID 106136203

IUPACN-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1CCC(Cl)CC1
InChIInChI=1S/C15H22ClNO2S/c16-15-8-6-14(7-9-15)12-17-20(18,19)11-10-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12H2
InChIKeyNAJYAXYMLBCILV-UHFFFAOYSA-N
MW315.87 g/mol
LogP2.95
Rot. Bonds6

About N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide

N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide (PubChem CID 106136203) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
PubChem CID106136203
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1CCC(Cl)CC1
InChIInChI=1S/C15H22ClNO2S/c16-15-8-6-14(7-9-15)12-17-20(18,19)11-10-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12H2
InChIKeyNAJYAXYMLBCILV-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 52.95
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

N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide
CID 106125625
4-[(benzylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525485
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121109573
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 97217880
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
CID 119974202
2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 90521151
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121108365
N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876
1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887905
N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide
CID 114955845

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide (CID 106136203) is N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC1CCC(Cl)CC1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide?
The InChIKey is NAJYAXYMLBCILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c16-15-8-6-14(7-9-15)12-17-20(18,19)11-10-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12H2.
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide?
N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide has a molecular weight of 315.87 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 106136203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).