3-(propylsulfamoyl)benzoic acid

C10H13NO4S — CID 2442822

IUPAC3-(propylsulfamoyl)benzoic acid
SMILESCCCNS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C10H13NO4S/c1-2-6-11-16(14,15)9-5-3-4-8(7-9)10(12)13/h3-5,7,11H,2,6H2,1H3,(H,12,13)
InChIKeyAKHAVOBIYIELGF-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.07
Rot. Bonds5

About 3-(propylsulfamoyl)benzoic acid

3-(propylsulfamoyl)benzoic acid (PubChem CID 2442822) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-(propylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(propylsulfamoyl)benzoic acid
PubChem CID2442822
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3-(propylsulfamoyl)benzoic acid
SMILESCCCNS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C10H13NO4S/c1-2-6-11-16(14,15)9-5-3-4-8(7-9)10(12)13/h3-5,7,11H,2,6H2,1H3,(H,12,13)
InChIKeyAKHAVOBIYIELGF-UHFFFAOYSA-N
XLogP1.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-(2-pyrrol-1-ylethylsulfamoyl)benzoic acid
CID 106390643
3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83202394
N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061918
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
CID 62499277
3-[2-[disulfanyl(methyl)amino]ethylsulfamoyl]benzoic acid
CID 174164600
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
3-[2-[4-(dimethylamino)phenyl]ethylsulfamoyl]benzoic acid
CID 110627132
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65034105
3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid
CID 66797539
3-[3-(2-hydroxyethoxy)propylsulfamoyl]benzoic acid
CID 106305240
3-(hydroxysulfamoyl)benzoic acid
CID 10727486

Frequently Asked Questions

What is the IUPAC name of 3-(propylsulfamoyl)benzoic acid?
The IUPAC name of 3-(propylsulfamoyl)benzoic acid (CID 2442822) is 3-(propylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(propylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(propylsulfamoyl)benzoic acid is CCCNS(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(propylsulfamoyl)benzoic acid?
The InChIKey is AKHAVOBIYIELGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-2-6-11-16(14,15)9-5-3-4-8(7-9)10(12)13/h3-5,7,11H,2,6H2,1H3,(H,12,13).
What are the key properties of 3-(propylsulfamoyl)benzoic acid?
3-(propylsulfamoyl)benzoic acid has a molecular weight of 243.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylsulfamoyl)benzoic acid is sourced from PubChem (CID 2442822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).