3-amino-4-(cyclopropylsulfamoyl)benzoic acid

C10H12N2O4S — CID 81471410

IUPAC3-amino-4-(cyclopropylsulfamoyl)benzoic acid
SMILESNc1cc(C(=O)O)ccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C10H12N2O4S/c11-8-5-6(10(13)14)1-4-9(8)17(15,16)12-7-2-3-7/h1,4-5,7,12H,2-3,11H2,(H,13,14)
InChIKeyMFEOGHJBTBAODL-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.41
Rot. Bonds4

About 3-amino-4-(cyclopropylsulfamoyl)benzoic acid

3-amino-4-(cyclopropylsulfamoyl)benzoic acid (PubChem CID 81471410) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-amino-4-(cyclopropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-amino-4-(cyclopropylsulfamoyl)benzoic acid
PubChem CID81471410
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name3-amino-4-(cyclopropylsulfamoyl)benzoic acid
SMILESNc1cc(C(=O)O)ccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C10H12N2O4S/c11-8-5-6(10(13)14)1-4-9(8)17(15,16)12-7-2-3-7/h1,4-5,7,12H,2-3,11H2,(H,13,14)
InChIKeyMFEOGHJBTBAODL-UHFFFAOYSA-N
XLogP0.41
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(cyclobutylsulfamoyl)benzoic acid
CID 81471279
3-amino-4-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 81466551
3-amino-4-(cyclobutylsulfamoyl)benzamide
CID 81471203
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 81466367
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
3-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]benzoic acid
CID 106181236
3-amino-4-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 113303512
3-bromo-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 43610009
3-fluoro-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 79187362
3-fluoro-4-(piperidin-4-ylsulfamoyl)benzoic acid
CID 79187645

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclopropylsulfamoyl)benzoic acid?
The IUPAC name of 3-amino-4-(cyclopropylsulfamoyl)benzoic acid (CID 81471410) is 3-amino-4-(cyclopropylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-amino-4-(cyclopropylsulfamoyl)benzoic acid?
The canonical SMILES for 3-amino-4-(cyclopropylsulfamoyl)benzoic acid is Nc1cc(C(=O)O)ccc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-amino-4-(cyclopropylsulfamoyl)benzoic acid?
The InChIKey is MFEOGHJBTBAODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c11-8-5-6(10(13)14)1-4-9(8)17(15,16)12-7-2-3-7/h1,4-5,7,12H,2-3,11H2,(H,13,14).
What are the key properties of 3-amino-4-(cyclopropylsulfamoyl)benzoic acid?
3-amino-4-(cyclopropylsulfamoyl)benzoic acid has a molecular weight of 256.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclopropylsulfamoyl)benzoic acid is sourced from PubChem (CID 81471410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).