4-(cyclopropylsulfamoyl)benzoic acid

C10H11NO4S — CID 1134151

IUPAC4-(cyclopropylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C10H11NO4S/c12-10(13)7-1-5-9(6-2-7)16(14,15)11-8-3-4-8/h1-2,5-6,8,11H,3-4H2,(H,12,13)
InChIKeyZVLAZIIUYHMWIM-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.83
Rot. Bonds4

About 4-(cyclopropylsulfamoyl)benzoic acid

4-(cyclopropylsulfamoyl)benzoic acid (PubChem CID 1134151) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)benzoic acid
PubChem CID1134151
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name4-(cyclopropylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C10H11NO4S/c12-10(13)7-1-5-9(6-2-7)16(14,15)11-8-3-4-8/h1-2,5-6,8,11H,3-4H2,(H,12,13)
InChIKeyZVLAZIIUYHMWIM-UHFFFAOYSA-N
XLogP0.83
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)benzoic acid?
The IUPAC name of 4-(cyclopropylsulfamoyl)benzoic acid (CID 1134151) is 4-(cyclopropylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(cyclopropylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)benzoic acid?
The InChIKey is ZVLAZIIUYHMWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c12-10(13)7-1-5-9(6-2-7)16(14,15)11-8-3-4-8/h1-2,5-6,8,11H,3-4H2,(H,12,13).
What are the key properties of 4-(cyclopropylsulfamoyl)benzoic acid?
4-(cyclopropylsulfamoyl)benzoic acid has a molecular weight of 241.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)benzoic acid is sourced from PubChem (CID 1134151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).