3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide

C18H20BrNO4S2 — CID 1356174

IUPAC3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO4S2/c19-14-9-11-16(12-10-14)25(21,22)17-7-4-8-18(13-17)26(23,24)20-15-5-2-1-3-6-15/h4,7-13,15,20H,1-3,5-6H2
InChIKeyJKQYMVAODVDLFK-UHFFFAOYSA-N
MW458.40 g/mol
LogP3.89
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide

3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide (PubChem CID 1356174) has the molecular formula C18H20BrNO4S2 and a molecular weight of 458.40 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide
PubChem CID1356174
Molecular FormulaC18H20BrNO4S2
Molecular Weight458.40 g/mol
Exact Mass457.00
IUPAC Name3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO4S2/c19-14-9-11-16(12-10-14)25(21,22)17-7-4-8-18(13-17)26(23,24)20-15-5-2-1-3-6-15/h4,7-13,15,20H,1-3,5-6H2
InChIKeyJKQYMVAODVDLFK-UHFFFAOYSA-N
XLogP3.89
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide
CID 157270766
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-cycloheptyl-3-nitrobenzenesulfonamide
CID 19203727
4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910
N-(azepan-4-yl)-3-bromobenzenesulfonamide
CID 107172896
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide
CID 67130398
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
CID 62314743
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide (CID 1356174) is 3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide?
The InChIKey is JKQYMVAODVDLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4S2/c19-14-9-11-16(12-10-14)25(21,22)17-7-4-8-18(13-17)26(23,24)20-15-5-2-1-3-6-15/h4,7-13,15,20H,1-3,5-6H2.
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide?
3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide has a molecular weight of 458.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 1356174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).