N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide

C20H21Cl2NO3S — CID 10387732

IUPACN-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)c3cc(Cl)cc(Cl)c3)CCCCC2)cc1
InChIInChI=1S/C20H21Cl2NO3S/c1-14-5-7-18(8-6-14)27(25,26)23-20(9-3-2-4-10-20)19(24)15-11-16(21)13-17(22)12-15/h5-8,11-13,23H,2-4,9-10H2,1H3
InChIKeyHBCDFKBUHUQANU-UHFFFAOYSA-N
MW426.37 g/mol
LogP5.17
Rot. Bonds5

About N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide

N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 10387732) has the molecular formula C20H21Cl2NO3S and a molecular weight of 426.37 g/mol. Its IUPAC name is N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide
PubChem CID10387732
Molecular FormulaC20H21Cl2NO3S
Molecular Weight426.37 g/mol
Exact Mass425.06
IUPAC NameN-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)c3cc(Cl)cc(Cl)c3)CCCCC2)cc1
InChIInChI=1S/C20H21Cl2NO3S/c1-14-5-7-18(8-6-14)27(25,26)23-20(9-3-2-4-10-20)19(24)15-11-16(21)13-17(22)12-15/h5-8,11-13,23H,2-4,9-10H2,1H3
InChIKeyHBCDFKBUHUQANU-UHFFFAOYSA-N
XLogP5.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.37
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 4252683
1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 2097919
methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 22907072
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide
CID 90594923
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
(1-aminocyclohexyl)-(3,5-dichlorophenyl)methanol;dichloromethane;N-[1-[(3,5-dichlorophenyl)-hydroxymethyl]cyclohexyl]-4-methylbenzenesulfonamide;methane;4-methylbenzenesulfonyl chloride
CID 161281904
1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172930
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932
1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 115776568
1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361594

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide (CID 10387732) is N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2(C(=O)c3cc(Cl)cc(Cl)c3)CCCCC2)cc1.
What is the InChIKey of N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is HBCDFKBUHUQANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3S/c1-14-5-7-18(8-6-14)27(25,26)23-20(9-3-2-4-10-20)19(24)15-11-16(21)13-17(22)12-15/h5-8,11-13,23H,2-4,9-10H2,1H3.
What are the key properties of N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide?
N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 426.37 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10387732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).