2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid

C11H12F2N2O4S — CID 138002921

IUPAC2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(NC2CC(F)(F)C2)c(C(=O)O)c1
InChIInChI=1S/C11H12F2N2O4S/c12-11(13)4-6(5-11)15-9-2-1-7(20(14,18)19)3-8(9)10(16)17/h1-3,6,15H,4-5H2,(H,16,17)(H2,14,18,19)
InChIKeyQLBQDNKGSUFGSK-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.24
Rot. Bonds4

About 2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid

2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid (PubChem CID 138002921) has the molecular formula C11H12F2N2O4S and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid
PubChem CID138002921
Molecular FormulaC11H12F2N2O4S
Molecular Weight306.29 g/mol
Exact Mass306.05
IUPAC Name2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(NC2CC(F)(F)C2)c(C(=O)O)c1
InChIInChI=1S/C11H12F2N2O4S/c12-11(13)4-6(5-11)15-9-2-1-7(20(14,18)19)3-8(9)10(16)17/h1-3,6,15H,4-5H2,(H,16,17)(H2,14,18,19)
InChIKeyQLBQDNKGSUFGSK-UHFFFAOYSA-N
XLogP1.24
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(cyclohexylamino)-5-sulfamoylbenzoic acid
CID 43322683
2-(butan-2-ylamino)-5-sulfamoylbenzoic acid
CID 43088437
2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid
CID 113463888
2-(prop-2-enylamino)-5-sulfamoylbenzoic acid
CID 43088442
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-sulfamoylbenzoic acid
CID 114756979
2-[[(2S)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293868
2-[[(2R)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293867
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
CID 99982225
4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 122060090
sodium;2-chloro-5-sulfamoylbenzoic acid;hydride
CID 174663116
2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid
CID 99981604
2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
CID 43235564

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid?
The IUPAC name of 2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid (CID 138002921) is 2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid is NS(=O)(=O)c1ccc(NC2CC(F)(F)C2)c(C(=O)O)c1.
What is the InChIKey of 2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid?
The InChIKey is QLBQDNKGSUFGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O4S/c12-11(13)4-6(5-11)15-9-2-1-7(20(14,18)19)3-8(9)10(16)17/h1-3,6,15H,4-5H2,(H,16,17)(H2,14,18,19).
What are the key properties of 2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid?
2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid has a molecular weight of 306.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid is sourced from PubChem (CID 138002921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).