5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid

C11H15FN2O4S — CID 114814357

IUPAC5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid
SMILESCC(C)CNS(=O)(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C11H15FN2O4S/c1-7(2)6-13-19(17,18)14-10-4-3-8(12)5-9(10)11(15)16/h3-5,7,13-14H,6H2,1-2H3,(H,15,16)
InChIKeyYGEWKCMXSOOSJS-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.43
Rot. Bonds6

About 5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid

5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid (PubChem CID 114814357) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid
PubChem CID114814357
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid
SMILESCC(C)CNS(=O)(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C11H15FN2O4S/c1-7(2)6-13-19(17,18)14-10-4-3-8(12)5-9(10)11(15)16/h3-5,7,13-14H,6H2,1-2H3,(H,15,16)
InChIKeyYGEWKCMXSOOSJS-UHFFFAOYSA-N
XLogP1.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid
CID 154743988
5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 54530763
3-amino-4-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814174
5-fluoro-2-(4-methylpentanoylamino)benzoic acid
CID 28544126
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263
5-fluoro-2-(4-methylpentylamino)benzoic acid
CID 63672827
4-fluoro-2-(methylsulfamoylamino)benzoic acid
CID 114805322
2-(ethylsulfamoylamino)-5-fluorobenzenecarbothioamide
CID 114808511
4-fluoro-2-(2,2,2-trifluoroethylsulfamoylamino)benzoic acid
CID 114805323
5-bromo-2-(ethylsulfamoylamino)benzoic acid
CID 114805892
2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid
CID 114805982

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid?
The IUPAC name of 5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid (CID 114814357) is 5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid?
The canonical SMILES for 5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid is CC(C)CNS(=O)(=O)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid?
The InChIKey is YGEWKCMXSOOSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-7(2)6-13-19(17,18)14-10-4-3-8(12)5-9(10)11(15)16/h3-5,7,13-14H,6H2,1-2H3,(H,15,16).
What are the key properties of 5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid?
5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid is sourced from PubChem (CID 114814357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).