3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide

C20H22BrNO3S — CID 157270766

IUPAC3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide
SMILESO=C(Cc1ccc(Br)cc1)c1cccc(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H22BrNO3S/c21-17-11-9-15(10-12-17)13-20(23)16-5-4-8-19(14-16)26(24,25)22-18-6-2-1-3-7-18/h4-5,8-12,14,18,22H,1-3,6-7,13H2
InChIKeyAYMUYXHWADEVDL-UHFFFAOYSA-N
MW436.37 g/mol
LogP4.49
Rot. Bonds6

About 3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide

3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide (PubChem CID 157270766) has the molecular formula C20H22BrNO3S and a molecular weight of 436.37 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide
PubChem CID157270766
Molecular FormulaC20H22BrNO3S
Molecular Weight436.37 g/mol
Exact Mass435.05
IUPAC Name3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide
SMILESO=C(Cc1ccc(Br)cc1)c1cccc(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H22BrNO3S/c21-17-11-9-15(10-12-17)13-20(23)16-5-4-8-19(14-16)26(24,25)22-18-6-2-1-3-7-18/h4-5,8-12,14,18,22H,1-3,6-7,13H2
InChIKeyAYMUYXHWADEVDL-UHFFFAOYSA-N
XLogP4.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide
CID 1356174
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cycloheptylsulfamoyl)benzenecarbothioamide
CID 43346188
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)benzenecarbothioamide
CID 24690582
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55879006
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide (CID 157270766) is 3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide is O=C(Cc1ccc(Br)cc1)c1cccc(S(=O)(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide?
The InChIKey is AYMUYXHWADEVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO3S/c21-17-11-9-15(10-12-17)13-20(23)16-5-4-8-19(14-16)26(24,25)22-18-6-2-1-3-7-18/h4-5,8-12,14,18,22H,1-3,6-7,13H2.
What are the key properties of 3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide?
3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide has a molecular weight of 436.37 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)acetyl]-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 157270766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).