2-fluoro-6-(sulfamoylamino)benzoic acid

C7H7FN2O4S — CID 114958773

IUPAC2-fluoro-6-(sulfamoylamino)benzoic acid
SMILESNS(=O)(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C7H7FN2O4S/c8-4-2-1-3-5(6(4)7(11)12)10-15(9,13)14/h1-3,10H,(H,11,12)(H2,9,13,14)
InChIKeyHIWVLQRVABZTPN-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.14
Rot. Bonds3

About 2-fluoro-6-(sulfamoylamino)benzoic acid

2-fluoro-6-(sulfamoylamino)benzoic acid (PubChem CID 114958773) has the molecular formula C7H7FN2O4S and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-fluoro-6-(sulfamoylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(sulfamoylamino)benzoic acid
PubChem CID114958773
Molecular FormulaC7H7FN2O4S
Molecular Weight234.21 g/mol
Exact Mass234.01
IUPAC Name2-fluoro-6-(sulfamoylamino)benzoic acid
SMILESNS(=O)(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C7H7FN2O4S/c8-4-2-1-3-5(6(4)7(11)12)10-15(9,13)14/h1-3,10H,(H,11,12)(H2,9,13,14)
InChIKeyHIWVLQRVABZTPN-UHFFFAOYSA-N
XLogP0.14
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(sulfamoylamino)benzoic acid
CID 114958898
2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
CID 113230561
2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid
CID 61066174
2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid
CID 79522120
2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 43443122
2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 51116002
2-fluoro-6-[(4-methoxy-4-oxobutyl)sulfonylamino]benzoic acid
CID 61457587
2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798280
4-fluoro-2-(sulfamoylamino)benzoic acid
CID 24710459
2-fluoro-6-(4-fluoroanilino)benzoic acid
CID 82296803
2-benzamido-6-fluorobenzoic acid
CID 13389963
2-(2-aminopropanoylamino)-6-fluorobenzoic acid
CID 61156859

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(sulfamoylamino)benzoic acid?
The IUPAC name of 2-fluoro-6-(sulfamoylamino)benzoic acid (CID 114958773) is 2-fluoro-6-(sulfamoylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(sulfamoylamino)benzoic acid?
The canonical SMILES for 2-fluoro-6-(sulfamoylamino)benzoic acid is NS(=O)(=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-(sulfamoylamino)benzoic acid?
The InChIKey is HIWVLQRVABZTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O4S/c8-4-2-1-3-5(6(4)7(11)12)10-15(9,13)14/h1-3,10H,(H,11,12)(H2,9,13,14).
What are the key properties of 2-fluoro-6-(sulfamoylamino)benzoic acid?
2-fluoro-6-(sulfamoylamino)benzoic acid has a molecular weight of 234.21 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(sulfamoylamino)benzoic acid is sourced from PubChem (CID 114958773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).