3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide

C18H22N2O4S — CID 4227371

IUPAC3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H22N2O4S/c1-2-16(13-21)20-18(22)15-9-6-10-17(11-15)25(23,24)19-12-14-7-4-3-5-8-14/h3-11,16,19,21H,2,12-13H2,1H3,(H,20,22)
InChIKeyXHHLOLYYIZJTEM-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.67
Rot. Bonds8

About 3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide

3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide (PubChem CID 4227371) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
PubChem CID4227371
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H22N2O4S/c1-2-16(13-21)20-18(22)15-9-6-10-17(11-15)25(23,24)19-12-14-7-4-3-5-8-14/h3-11,16,19,21H,2,12-13H2,1H3,(H,20,22)
InChIKeyXHHLOLYYIZJTEM-UHFFFAOYSA-N
XLogP1.67
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771472
3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide
CID 46182236
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454906
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide (CID 4227371) is 3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide is CCC(CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide?
The InChIKey is XHHLOLYYIZJTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-2-16(13-21)20-18(22)15-9-6-10-17(11-15)25(23,24)19-12-14-7-4-3-5-8-14/h3-11,16,19,21H,2,12-13H2,1H3,(H,20,22).
What are the key properties of 3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide?
3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 4227371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).