3-(1-hydroxypropan-2-ylsulfamoyl)benzamide

C10H14N2O4S — CID 174892675

IUPAC3-(1-hydroxypropan-2-ylsulfamoyl)benzamide
SMILESCC(CO)NS(=O)(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C10H14N2O4S/c1-7(6-13)12-17(15,16)9-4-2-3-8(5-9)10(11)14/h2-5,7,12-13H,6H2,1H3,(H2,11,14)
InChIKeyCDCJYZKMDUURMD-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.56
Rot. Bonds5

About 3-(1-hydroxypropan-2-ylsulfamoyl)benzamide

3-(1-hydroxypropan-2-ylsulfamoyl)benzamide (PubChem CID 174892675) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(1-hydroxypropan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-(1-hydroxypropan-2-ylsulfamoyl)benzamide
PubChem CID174892675
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name3-(1-hydroxypropan-2-ylsulfamoyl)benzamide
SMILESCC(CO)NS(=O)(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C10H14N2O4S/c1-7(6-13)12-17(15,16)9-4-2-3-8(5-9)10(11)14/h2-5,7,12-13H,6H2,1H3,(H2,11,14)
InChIKeyCDCJYZKMDUURMD-UHFFFAOYSA-N
XLogP-0.56
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butan-2-ylsulfamoyl)benzenecarbothioamide
CID 24711607
3-(2-hydroxyethylsulfamoyl)benzamide
CID 69287741
3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372085
3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide
CID 119984985
3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 16768421
N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637
3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
CID 109062923
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472
3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 62732947

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropan-2-ylsulfamoyl)benzamide?
The IUPAC name of 3-(1-hydroxypropan-2-ylsulfamoyl)benzamide (CID 174892675) is 3-(1-hydroxypropan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 3-(1-hydroxypropan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 3-(1-hydroxypropan-2-ylsulfamoyl)benzamide is CC(CO)NS(=O)(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-(1-hydroxypropan-2-ylsulfamoyl)benzamide?
The InChIKey is CDCJYZKMDUURMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-7(6-13)12-17(15,16)9-4-2-3-8(5-9)10(11)14/h2-5,7,12-13H,6H2,1H3,(H2,11,14).
What are the key properties of 3-(1-hydroxypropan-2-ylsulfamoyl)benzamide?
3-(1-hydroxypropan-2-ylsulfamoyl)benzamide has a molecular weight of 258.30 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 174892675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).