4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide

C20H25ClN2O2S — CID 98467664

IUPAC4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide
SMILESCc1cccc(N(C)[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H25ClN2O2S/c1-15-6-5-7-17(14-15)23(2)20-9-4-3-8-19(20)22-26(24,25)18-12-10-16(21)11-13-18/h5-7,10-14,19-20,22H,3-4,8-9H2,1-2H3/t19-,20-/m1/s1
InChIKeyYEOABFZJGCIOFY-WOJBJXKFSA-N
MW392.95 g/mol
LogP4.37
Rot. Bonds5

About 4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide

4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide (PubChem CID 98467664) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide
PubChem CID98467664
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC Name4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide
SMILESCc1cccc(N(C)[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H25ClN2O2S/c1-15-6-5-7-17(14-15)23(2)20-9-4-3-8-19(20)22-26(24,25)18-12-10-16(21)11-13-18/h5-7,10-14,19-20,22H,3-4,8-9H2,1-2H3/t19-,20-/m1/s1
InChIKeyYEOABFZJGCIOFY-WOJBJXKFSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
CID 11405210
N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide
CID 23604948
4-chloro-N-[2-(4-ethoxy-N-methylanilino)cyclohexyl]benzenesulfonamide
CID 23604974
N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide
CID 124772278
2-(4-chlorobenzoyl)-N-ethyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzamide
CID 54453079
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide
CID 6972183
N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide
CID 101206913
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide
CID 2975041

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide (CID 98467664) is 4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide is Cc1cccc(N(C)[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide?
The InChIKey is YEOABFZJGCIOFY-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-15-6-5-7-17(14-15)23(2)20-9-4-3-8-19(20)22-26(24,25)18-12-10-16(21)11-13-18/h5-7,10-14,19-20,22H,3-4,8-9H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide?
4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide has a molecular weight of 392.95 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 98467664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).