N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide

C15H22ClNO2S — CID 102638762

IUPACN-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCCCC2Cl)cc1C
InChIInChI=1S/C15H22ClNO2S/c1-11-8-9-13(10-12(11)2)20(18,19)17(3)15-7-5-4-6-14(15)16/h8-10,14-15H,4-7H2,1-3H3
InChIKeyNKXRQCJPUKSNGG-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.47
Rot. Bonds3

About N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide

N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide (PubChem CID 102638762) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide
PubChem CID102638762
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC NameN-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCCCC2Cl)cc1C
InChIInChI=1S/C15H22ClNO2S/c1-11-8-9-13(10-12(11)2)20(18,19)17(3)15-7-5-4-6-14(15)16/h8-10,14-15H,4-7H2,1-3H3
InChIKeyNKXRQCJPUKSNGG-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.47
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

N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165021
N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
CID 114189412
N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
CID 36649156
N-(2-chlorocyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 102638739
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 55537250
N-(2-chlorocyclohexyl)-N-methyl-2-phenylethanesulfonamide
CID 102638725
N-[(2S,3R)-2-chlorooxan-3-yl]-N,4-dimethylbenzenesulfonamide
CID 122209577
N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
CID 102639357
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N,4-dimethylbenzenesulfonamide
CID 110125865
N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42960081

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide (CID 102638762) is N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2CCCCC2Cl)cc1C.
What is the InChIKey of N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide?
The InChIKey is NKXRQCJPUKSNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-11-8-9-13(10-12(11)2)20(18,19)17(3)15-7-5-4-6-14(15)16/h8-10,14-15H,4-7H2,1-3H3.
What are the key properties of N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide?
N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide has a molecular weight of 315.87 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 102638762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).