4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide

C19H21Cl2NO3S — CID 134237971

IUPAC4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide
SMILESCC1(O)CCC(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C19H21Cl2NO3S/c1-19(23)10-8-15(9-11-19)22-26(24,25)16-5-2-13(3-6-16)17-7-4-14(20)12-18(17)21/h2-7,12,15,22-23H,8-11H2,1H3
InChIKeyDZLRFXMJUKNZIM-UHFFFAOYSA-N
MW414.35 g/mol
LogP4.63
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide

4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide (PubChem CID 134237971) has the molecular formula C19H21Cl2NO3S and a molecular weight of 414.35 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide
PubChem CID134237971
Molecular FormulaC19H21Cl2NO3S
Molecular Weight414.35 g/mol
Exact Mass413.06
IUPAC Name4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide
SMILESCC1(O)CCC(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C19H21Cl2NO3S/c1-19(23)10-8-15(9-11-19)22-26(24,25)16-5-2-13(3-6-16)17-7-4-14(20)12-18(17)21/h2-7,12,15,22-23H,8-11H2,1H3
InChIKeyDZLRFXMJUKNZIM-UHFFFAOYSA-N
XLogP4.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 115330142
N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 81107725
N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol
CID 143959250
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
2,4-dichloro-1-[4-[(4-methylcyclohexyl)methylsulfonyl]phenyl]benzene
CID 153404172
4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 65481434
4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 25094423
4-(2,4-difluorophenyl)-N-[4-(ethylamino)cyclohexyl]benzenesulfonamide
CID 45279055
5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide
CID 119045142
3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 70911541
4-chloro-N-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
CID 11859488
4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide
CID 45279229

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide (CID 134237971) is 4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide is CC1(O)CCC(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is DZLRFXMJUKNZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3S/c1-19(23)10-8-15(9-11-19)22-26(24,25)16-5-2-13(3-6-16)17-7-4-14(20)12-18(17)21/h2-7,12,15,22-23H,8-11H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide?
4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 414.35 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 134237971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).