N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide

C22H28ClNO2S — CID 155937368

IUPACN-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide
SMILESCc1ccc([C@@H](Cl)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H28ClNO2S/c1-17-8-12-19(13-9-17)22(23)16-24(20-6-4-3-5-7-20)27(25,26)21-14-10-18(2)11-15-21/h8-15,20,22H,3-7,16H2,1-2H3/t22-/m0/s1
InChIKeyLPMZANUNCKHVCN-QFIPXVFZSA-N
MW405.99 g/mol
LogP5.61
Rot. Bonds6

About N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide

N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide (PubChem CID 155937368) has the molecular formula C22H28ClNO2S and a molecular weight of 405.99 g/mol. Its IUPAC name is N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide
PubChem CID155937368
Molecular FormulaC22H28ClNO2S
Molecular Weight405.99 g/mol
Exact Mass405.15
IUPAC NameN-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide
SMILESCc1ccc([C@@H](Cl)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H28ClNO2S/c1-17-8-12-19(13-9-17)22(23)16-24(20-6-4-3-5-7-20)27(25,26)21-14-10-18(2)11-15-21/h8-15,20,22H,3-7,16H2,1-2H3/t22-/m0/s1
InChIKeyLPMZANUNCKHVCN-QFIPXVFZSA-N
XLogP5.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.99
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 21380372
4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid
CID 154782398
N-cycloheptyl-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50775957
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 78982767
N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135417677
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30400980
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide (CID 155937368) is N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide is Cc1ccc([C@@H](Cl)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide?
The InChIKey is LPMZANUNCKHVCN-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28ClNO2S/c1-17-8-12-19(13-9-17)22(23)16-24(20-6-4-3-5-7-20)27(25,26)21-14-10-18(2)11-15-21/h8-15,20,22H,3-7,16H2,1-2H3/t22-/m0/s1.
What are the key properties of N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide?
N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide has a molecular weight of 405.99 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 155937368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).