4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide

C12H12BrCl2NO3S — CID 43652967

IUPAC4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C12H12BrCl2NO3S/c13-7-5-10(14)12(11(15)6-7)20(18,19)16-8-1-3-9(17)4-2-8/h5-6,8,16H,1-4H2
InChIKeyJSRLQMHZCDJCJB-UHFFFAOYSA-N
MW401.11 g/mol
LogP3.55
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide (PubChem CID 43652967) has the molecular formula C12H12BrCl2NO3S and a molecular weight of 401.11 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide
PubChem CID43652967
Molecular FormulaC12H12BrCl2NO3S
Molecular Weight401.11 g/mol
Exact Mass398.91
IUPAC Name4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C12H12BrCl2NO3S/c13-7-5-10(14)12(11(15)6-7)20(18,19)16-8-1-3-9(17)4-2-8/h5-6,8,16H,1-4H2
InChIKeyJSRLQMHZCDJCJB-UHFFFAOYSA-N
XLogP3.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.11
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 60640000
4-bromo-2,6-dichloro-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide
CID 18141545
3-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030564
4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 95400196
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
CID 43256975
4-bromo-2,6-dichloro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79118619
4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49149515
4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 60727630
4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 43256833
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957295
4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide
CID 106314646
2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686004

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide (CID 43652967) is 4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide is O=C1CCC(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide?
The InChIKey is JSRLQMHZCDJCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2NO3S/c13-7-5-10(14)12(11(15)6-7)20(18,19)16-8-1-3-9(17)4-2-8/h5-6,8,16H,1-4H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide has a molecular weight of 401.11 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide is sourced from PubChem (CID 43652967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).