3-[cyclopropyl(methyl)sulfamoyl]benzoic acid

C11H13NO4S — CID 43247619

IUPAC3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
SMILESCN(C1CC1)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H13NO4S/c1-12(9-5-6-9)17(15,16)10-4-2-3-8(7-10)11(13)14/h2-4,7,9H,5-6H2,1H3,(H,13,14)
InChIKeyZZFBTHPELXAYLH-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.17
Rot. Bonds4

About 3-[cyclopropyl(methyl)sulfamoyl]benzoic acid

3-[cyclopropyl(methyl)sulfamoyl]benzoic acid (PubChem CID 43247619) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
PubChem CID43247619
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
SMILESCN(C1CC1)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H13NO4S/c1-12(9-5-6-9)17(15,16)10-4-2-3-8(7-10)11(13)14/h2-4,7,9H,5-6H2,1H3,(H,13,14)
InChIKeyZZFBTHPELXAYLH-UHFFFAOYSA-N
XLogP1.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[cyclopropyl(methyl)sulfamoyl]benzoic acid (CID 43247619) is 3-[cyclopropyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[cyclopropyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[cyclopropyl(methyl)sulfamoyl]benzoic acid is CN(C1CC1)S(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[cyclopropyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is ZZFBTHPELXAYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-12(9-5-6-9)17(15,16)10-4-2-3-8(7-10)11(13)14/h2-4,7,9H,5-6H2,1H3,(H,13,14).
What are the key properties of 3-[cyclopropyl(methyl)sulfamoyl]benzoic acid?
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 255.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43247619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).