3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide

C24H25ClN2O4S — CID 112771472

IUPAC3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1
InChIInChI=1S/C24H25ClN2O4S/c1-2-20(17-28)26-24(29)19-11-8-12-21(15-19)32(30,31)27(16-18-9-4-3-5-10-18)23-14-7-6-13-22(23)25/h3-15,20,28H,2,16-17H2,1H3,(H,26,29)
InChIKeyJYEAORKFHLKMGG-UHFFFAOYSA-N
MW472.99 g/mol
LogP4.24
Rot. Bonds9

About 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide

3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide (PubChem CID 112771472) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide
PubChem CID112771472
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1
InChIInChI=1S/C24H25ClN2O4S/c1-2-20(17-28)26-24(29)19-11-8-12-21(15-19)32(30,31)27(16-18-9-4-3-5-10-18)23-14-7-6-13-22(23)25/h3-15,20,28H,2,16-17H2,1H3,(H,26,29)
InChIKeyJYEAORKFHLKMGG-UHFFFAOYSA-N
XLogP4.24
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide
CID 46182236
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide
CID 30752481
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 2538961
3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
CID 4227371
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4832234
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 2704667
2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
CID 2469428
naphthalen-1-yl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
CID 2397579
N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 17438653
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide?
The IUPAC name of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide (CID 112771472) is 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide is CCC(CO)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1.
What is the InChIKey of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide?
The InChIKey is JYEAORKFHLKMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-2-20(17-28)26-24(29)19-11-8-12-21(15-19)32(30,31)27(16-18-9-4-3-5-10-18)23-14-7-6-13-22(23)25/h3-15,20,28H,2,16-17H2,1H3,(H,26,29).
What are the key properties of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide?
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide has a molecular weight of 472.99 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 112771472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).