2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid

C13H17NO4S — CID 113463674

IUPAC2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid
SMILESCC1CC1CNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H17NO4S/c1-9-6-11(9)8-14-19(17,18)12-4-2-10(3-5-12)7-13(15)16/h2-5,9,11,14H,6-8H2,1H3,(H,15,16)
InChIKeySPVHYFSMSPCANX-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.25
Rot. Bonds6

About 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid

2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid (PubChem CID 113463674) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid
PubChem CID113463674
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid
SMILESCC1CC1CNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H17NO4S/c1-9-6-11(9)8-14-19(17,18)12-4-2-10(3-5-12)7-13(15)16/h2-5,9,11,14H,6-8H2,1H3,(H,15,16)
InChIKeySPVHYFSMSPCANX-UHFFFAOYSA-N
XLogP1.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid (CID 113463674) is 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid is CC1CC1CNS(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid?
The InChIKey is SPVHYFSMSPCANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-6-11(9)8-14-19(17,18)12-4-2-10(3-5-12)7-13(15)16/h2-5,9,11,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid?
2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 113463674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).