4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide

C21H27N3O5S2 — CID 43057657

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C21H27N3O5S2/c1-24(19-9-4-3-5-10-19)31(28,29)20-13-11-16(12-14-20)21(25)22-17-7-6-8-18(15-17)23-30(2,26)27/h6-8,11-15,19,23H,3-5,9-10H2,1-2H3,(H,22,25)
InChIKeyHIWUUVKEVGXXII-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.26
Rot. Bonds7

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide (PubChem CID 43057657) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide
PubChem CID43057657
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C21H27N3O5S2/c1-24(19-9-4-3-5-10-19)31(28,29)20-13-11-16(12-14-20)21(25)22-17-7-6-8-18(15-17)23-30(2,26)27/h6-8,11-15,19,23H,3-5,9-10H2,1-2H3,(H,22,25)
InChIKeyHIWUUVKEVGXXII-UHFFFAOYSA-N
XLogP3.26
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26906898
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55676850
1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide
CID 166185447
N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049764
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
4-[cyclopropyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)benzamide
CID 41364081
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide (CID 43057657) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide?
The InChIKey is HIWUUVKEVGXXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-24(19-9-4-3-5-10-19)31(28,29)20-13-11-16(12-14-20)21(25)22-17-7-6-8-18(15-17)23-30(2,26)27/h6-8,11-15,19,23H,3-5,9-10H2,1-2H3,(H,22,25).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide has a molecular weight of 465.60 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide is sourced from PubChem (CID 43057657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).