2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid

C11H10FNO6S — CID 174679647

IUPAC2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)OS(=O)(=O)C1CC1
InChIInChI=1S/C11H10FNO6S/c12-7-2-1-3-8(9(7)10(14)15)13-11(16)19-20(17,18)6-4-5-6/h1-3,6H,4-5H2,(H,13,16)(H,14,15)
InChIKeyINMVTVIAGAHLTA-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.56
Rot. Bonds4

About 2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid

2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid (PubChem CID 174679647) has the molecular formula C11H10FNO6S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid
PubChem CID174679647
Molecular FormulaC11H10FNO6S
Molecular Weight303.27 g/mol
Exact Mass303.02
IUPAC Name2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)OS(=O)(=O)C1CC1
InChIInChI=1S/C11H10FNO6S/c12-7-2-1-3-8(9(7)10(14)15)13-11(16)19-20(17,18)6-4-5-6/h1-3,6H,4-5H2,(H,13,16)(H,14,15)
InChIKeyINMVTVIAGAHLTA-UHFFFAOYSA-N
XLogP1.56
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
CID 113230561
2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid
CID 61066174
2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
CID 43442755
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid
CID 46737340
2-(cyclopent-3-ene-1-carbonylamino)-6-fluorobenzoic acid
CID 64767259
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
2-benzamido-6-fluorobenzoic acid
CID 13389963
2-fluoro-6-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462407
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-6-fluorobenzoic acid
CID 79511939
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid
CID 61208825
2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597623
2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid?
The IUPAC name of 2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid (CID 174679647) is 2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid?
The canonical SMILES for 2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid is O=C(Nc1cccc(F)c1C(=O)O)OS(=O)(=O)C1CC1.
What is the InChIKey of 2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid?
The InChIKey is INMVTVIAGAHLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO6S/c12-7-2-1-3-8(9(7)10(14)15)13-11(16)19-20(17,18)6-4-5-6/h1-3,6H,4-5H2,(H,13,16)(H,14,15).
What are the key properties of 2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid?
2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid has a molecular weight of 303.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid is sourced from PubChem (CID 174679647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).