2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid

C14H11FN2O7S — CID 2356966

IUPAC2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H11FN2O7S/c1-24-13-5-2-8(17(20)21)6-12(13)16-25(22,23)9-3-4-11(15)10(7-9)14(18)19/h2-7,16H,1H3,(H,18,19)
InChIKeyDSCVEQRADREGEE-UHFFFAOYSA-N
MW370.31 g/mol
LogP2.24
Rot. Bonds6

About 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid

2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid (PubChem CID 2356966) has the molecular formula C14H11FN2O7S and a molecular weight of 370.31 g/mol. Its IUPAC name is 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
PubChem CID2356966
Molecular FormulaC14H11FN2O7S
Molecular Weight370.31 g/mol
Exact Mass370.03
IUPAC Name2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H11FN2O7S/c1-24-13-5-2-8(17(20)21)6-12(13)16-25(22,23)9-3-4-11(15)10(7-9)14(18)19/h2-7,16H,1H3,(H,18,19)
InChIKeyDSCVEQRADREGEE-UHFFFAOYSA-N
XLogP2.24
TPSA135.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
3-[(4-Methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
CID 2329148
3-[(2-Methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CID 3865487
4-[(4-methoxyphenyl)sulfamoyl]benzoic Acid
CID 2376812
(2-Oxooxolan-3-yl) 3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate
CID 4131644
4-Fluoro-3-((4-methoxyphenyl)sulfamoyl)benzoic acid
CID 777280
3-[(2-Methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
CID 2318420
4-Methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CID 2385985
4-Fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 891515
2-Amino-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 2357263
4-((2-Methoxyphenyl)sulfamoyl)benzoic acid
CID 2333505
3-[(2-Methoxy-5-nitro-phenyl)sulfonylamino]benzoic acid
CID 16384830

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid (CID 2356966) is 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid is COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
The InChIKey is DSCVEQRADREGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O7S/c1-24-13-5-2-8(17(20)21)6-12(13)16-25(22,23)9-3-4-11(15)10(7-9)14(18)19/h2-7,16H,1H3,(H,18,19).
What are the key properties of 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid has a molecular weight of 370.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2356966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).