4-(2-hydroxypropylsulfamoylmethyl)benzoic acid

C11H15NO5S — CID 43499045

IUPAC4-(2-hydroxypropylsulfamoylmethyl)benzoic acid
SMILESCC(O)CNS(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H15NO5S/c1-8(13)6-12-18(16,17)7-9-2-4-10(5-3-9)11(14)15/h2-5,8,12-13H,6-7H2,1H3,(H,14,15)
InChIKeyNXBKDBVDAKSVSR-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.19
Rot. Bonds6

About 4-(2-hydroxypropylsulfamoylmethyl)benzoic acid

4-(2-hydroxypropylsulfamoylmethyl)benzoic acid (PubChem CID 43499045) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(2-hydroxypropylsulfamoylmethyl)benzoic acid.

Molecular Properties

Compound Name4-(2-hydroxypropylsulfamoylmethyl)benzoic acid
PubChem CID43499045
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name4-(2-hydroxypropylsulfamoylmethyl)benzoic acid
SMILESCC(O)CNS(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H15NO5S/c1-8(13)6-12-18(16,17)7-9-2-4-10(5-3-9)11(14)15/h2-5,8,12-13H,6-7H2,1H3,(H,14,15)
InChIKeyNXBKDBVDAKSVSR-UHFFFAOYSA-N
XLogP0.19
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2R)-2-hydroxypropyl]sulfamoylmethyl]benzoate
CID 83030316
4-[2-(dimethylamino)propylsulfamoylmethyl]benzoic acid
CID 61042934
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
4-(2-hydroxypropylsulfonylmethyl)benzoic acid
CID 66878090
4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoylmethyl]benzoic acid
CID 79254320
4-[[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031179
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoylmethyl]benzoic acid
CID 79253818
4-[(2-ethyl-2-hydroxybutyl)sulfamoylmethyl]benzoic acid
CID 65105756
4-[[[(2R)-1-(ethylsulfonylamino)propan-2-yl]amino]methyl]benzoic acid
CID 125447770
4-(prop-2-enylsulfamoylmethyl)benzoic acid
CID 43362558
4-[(1-hydroxy-4-methylpentan-2-yl)sulfamoylmethyl]benzoic acid
CID 61247158
N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide
CID 95635513

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropylsulfamoylmethyl)benzoic acid?
The IUPAC name of 4-(2-hydroxypropylsulfamoylmethyl)benzoic acid (CID 43499045) is 4-(2-hydroxypropylsulfamoylmethyl)benzoic acid.
What is the SMILES notation for 4-(2-hydroxypropylsulfamoylmethyl)benzoic acid?
The canonical SMILES for 4-(2-hydroxypropylsulfamoylmethyl)benzoic acid is CC(O)CNS(=O)(=O)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-hydroxypropylsulfamoylmethyl)benzoic acid?
The InChIKey is NXBKDBVDAKSVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8(13)6-12-18(16,17)7-9-2-4-10(5-3-9)11(14)15/h2-5,8,12-13H,6-7H2,1H3,(H,14,15).
What are the key properties of 4-(2-hydroxypropylsulfamoylmethyl)benzoic acid?
4-(2-hydroxypropylsulfamoylmethyl)benzoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylsulfamoylmethyl)benzoic acid is sourced from PubChem (CID 43499045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).