3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide

C23H30ClN3O4S — CID 118695333

IUPAC3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide
SMILESNCCCCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1
InChIInChI=1S/C23H30ClN3O4S/c24-18-11-12-22(28)21(16-18)26-23(29)17-7-6-10-20(15-17)32(30,31)27(14-5-4-13-25)19-8-2-1-3-9-19/h6-7,10-12,15-16,19,28H,1-5,8-9,13-14,25H2,(H,26,29)
InChIKeyIRHFGYOUFPRAFX-UHFFFAOYSA-N
MW480.03 g/mol
LogP4.36
Rot. Bonds9

About 3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide

3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide (PubChem CID 118695333) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is 3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide
PubChem CID118695333
Molecular FormulaC23H30ClN3O4S
Molecular Weight480.03 g/mol
Exact Mass479.16
IUPAC Name3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide
SMILESNCCCCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1
InChIInChI=1S/C23H30ClN3O4S/c24-18-11-12-22(28)21(16-18)26-23(29)17-7-6-10-20(15-17)32(30,31)27(14-5-4-13-25)19-8-2-1-3-9-19/h6-7,10-12,15-16,19,28H,1-5,8-9,13-14,25H2,(H,26,29)
InChIKeyIRHFGYOUFPRAFX-UHFFFAOYSA-N
XLogP4.36
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.03
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 118695528
N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 26094766
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56581239
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
CID 28708333
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
3-[(3-acetylphenyl)sulfonyl-cyclopropylamino]propanoic acid
CID 60718163
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 43136997
N-(5-chloro-2-propoxyphenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55896659
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099

Frequently Asked Questions

What is the IUPAC name of 3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide?
The IUPAC name of 3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide (CID 118695333) is 3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide?
The canonical SMILES for 3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide is NCCCCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1.
What is the InChIKey of 3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide?
The InChIKey is IRHFGYOUFPRAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4S/c24-18-11-12-22(28)21(16-18)26-23(29)17-7-6-10-20(15-17)32(30,31)27(14-5-4-13-25)19-8-2-1-3-9-19/h6-7,10-12,15-16,19,28H,1-5,8-9,13-14,25H2,(H,26,29).
What are the key properties of 3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide?
3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide has a molecular weight of 480.03 g/mol, XLogP of 4.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-aminobutyl(cyclohexyl)sulfamoyl]-N-(5-chloro-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 118695333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).