4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide

C11H16N2O6S — CID 107848473

IUPAC4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C11H16N2O6S/c12-10(17)8-1-3-9(4-2-8)20(18,19)13-11(5-14,6-15)7-16/h1-4,13-16H,5-7H2,(H2,12,17)
InChIKeyUDNYQSITFCYBIZ-UHFFFAOYSA-N
MW304.32 g/mol
LogP-2.22
Rot. Bonds7

About 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide

4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide (PubChem CID 107848473) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide
PubChem CID107848473
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C11H16N2O6S/c12-10(17)8-1-3-9(4-2-8)20(18,19)13-11(5-14,6-15)7-16/h1-4,13-16H,5-7H2,(H2,12,17)
InChIKeyUDNYQSITFCYBIZ-UHFFFAOYSA-N
XLogP-2.22
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-2.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
CID 115310574
4-(methylsulfamoyl)benzamide
CID 43241290
4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide
CID 62521256
4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzamide
CID 62522485
4-(hydroxymethylsulfonyl)benzamide
CID 58552991
4-(5-hydroxypentylsulfamoyl)benzamide
CID 107319438
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 115754843
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-[(1-amino-2-cyclohexyl-3,3-dimethyl-1-oxobutan-2-yl)sulfamoyl]benzamide
CID 18513134
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961

Frequently Asked Questions

What is the IUPAC name of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide?
The IUPAC name of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide (CID 107848473) is 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)NC(CO)(CO)CO)cc1.
What is the InChIKey of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide?
The InChIKey is UDNYQSITFCYBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c12-10(17)8-1-3-9(4-2-8)20(18,19)13-11(5-14,6-15)7-16/h1-4,13-16H,5-7H2,(H2,12,17).
What are the key properties of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide?
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide has a molecular weight of 304.32 g/mol, XLogP of -2.22, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 107848473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).