N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide

C27H27BrN2O4S — CID 23847974

IUPACN-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C27H27BrN2O4S/c1-30(22-10-6-3-7-11-22)35(33,34)23-15-12-20(13-16-23)27(32)29-25-17-14-21(28)18-24(25)26(31)19-8-4-2-5-9-19/h2,4-5,8-9,12-18,22H,3,6-7,10-11H2,1H3,(H,29,32)
InChIKeyGOAOWNZKLNYEBF-UHFFFAOYSA-N
MW555.49 g/mol
LogP5.89
Rot. Bonds7

About N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide

N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide (PubChem CID 23847974) has the molecular formula C27H27BrN2O4S and a molecular weight of 555.49 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
PubChem CID23847974
Molecular FormulaC27H27BrN2O4S
Molecular Weight555.49 g/mol
Exact Mass554.09
IUPAC NameN-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C27H27BrN2O4S/c1-30(22-10-6-3-7-11-22)35(33,34)23-15-12-20(13-16-23)27(32)29-25-17-14-21(28)18-24(25)26(31)19-8-4-2-5-9-19/h2,4-5,8-9,12-18,22H,3,6-7,10-11H2,1H3,(H,29,32)
InChIKeyGOAOWNZKLNYEBF-UHFFFAOYSA-N
XLogP5.89
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.49
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
CID 1356278
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043946
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670
2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 26706774
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469203
4-chloro-3-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 43071932
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
N-(2-chlorophenyl)-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41364040
N-(2-benzoyl-4-bromophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 23770948

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide (CID 23847974) is N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The InChIKey is GOAOWNZKLNYEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BrN2O4S/c1-30(22-10-6-3-7-11-22)35(33,34)23-15-12-20(13-16-23)27(32)29-25-17-14-21(28)18-24(25)26(31)19-8-4-2-5-9-19/h2,4-5,8-9,12-18,22H,3,6-7,10-11H2,1H3,(H,29,32).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide has a molecular weight of 555.49 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 23847974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).