3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid

C17H17FN2O5S — CID 46292418

IUPAC3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O5S/c18-13-2-4-14(5-3-13)26(23,24)19-15-11-12(17(21)22)1-6-16(15)20-7-9-25-10-8-20/h1-6,11,19H,7-10H2,(H,21,22)
InChIKeyWJEQJOXEZBWVBW-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.16
Rot. Bonds5

About 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid

3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid (PubChem CID 46292418) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
PubChem CID46292418
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O5S/c18-13-2-4-14(5-3-13)26(23,24)19-15-11-12(17(21)22)1-6-16(15)20-7-9-25-10-8-20/h1-6,11,19H,7-10H2,(H,21,22)
InChIKeyWJEQJOXEZBWVBW-UHFFFAOYSA-N
XLogP2.16
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[5-(morpholine-4-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333186
3-[(4-ethoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767046
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052897
3-[(3-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146074114
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767039
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146054116
3-[(4-fluorophenyl)sulfonylamino]-4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146054188
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
4-bromo-N-[5-(morpholine-4-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333177
3-[(3-fluorophenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46291743
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 46291912

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid (CID 46292418) is 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid is O=C(O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
The InChIKey is WJEQJOXEZBWVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c18-13-2-4-14(5-3-13)26(23,24)19-15-11-12(17(21)22)1-6-16(15)20-7-9-25-10-8-20/h1-6,11,19H,7-10H2,(H,21,22).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid has a molecular weight of 380.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 46292418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).