4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide

C12H14BrCl2NO2S — CID 60640000

IUPAC4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H14BrCl2NO2S/c13-8-6-10(14)12(11(15)7-8)19(17,18)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5H2
InChIKeyAKZUFACXLCLDQV-UHFFFAOYSA-N
MW387.13 g/mol
LogP4.37
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide

4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide (PubChem CID 60640000) has the molecular formula C12H14BrCl2NO2S and a molecular weight of 387.13 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
PubChem CID60640000
Molecular FormulaC12H14BrCl2NO2S
Molecular Weight387.13 g/mol
Exact Mass384.93
IUPAC Name4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H14BrCl2NO2S/c13-8-6-10(14)12(11(15)7-8)19(17,18)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5H2
InChIKeyAKZUFACXLCLDQV-UHFFFAOYSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.13
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-(4-oxocyclohexyl)benzenesulfonamide
CID 43652967
4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 43256833
4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 95400196
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
4,5-dibromo-1-N,2-N-dicyclohexylbenzene-1,2-disulfonamide
CID 12890971
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
CID 43256975
4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
CID 43258329
2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide
CID 68871797
4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide
CID 63422598
4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49149515
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957295

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide (CID 60640000) is 4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide?
The InChIKey is AKZUFACXLCLDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO2S/c13-8-6-10(14)12(11(15)7-8)19(17,18)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5H2.
What are the key properties of 4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide?
4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide has a molecular weight of 387.13 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 60640000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).