2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid

C18H16F2N2O6S — CID 130296898

IUPAC2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(F)c(NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1F
InChIInChI=1S/C18H16F2N2O6S/c19-14-10-16(15(20)9-13(14)18(24)25)21-29(26,27)12-3-1-11(2-4-12)17(23)22-5-7-28-8-6-22/h1-4,9-10,21H,5-8H2,(H,24,25)
InChIKeyQKZNBYUVWRKMIS-UHFFFAOYSA-N
MW426.40 g/mol
LogP1.94
Rot. Bonds5

About 2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid

2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid (PubChem CID 130296898) has the molecular formula C18H16F2N2O6S and a molecular weight of 426.40 g/mol. Its IUPAC name is 2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid
PubChem CID130296898
Molecular FormulaC18H16F2N2O6S
Molecular Weight426.40 g/mol
Exact Mass426.07
IUPAC Name2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(F)c(NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1F
InChIInChI=1S/C18H16F2N2O6S/c19-14-10-16(15(20)9-13(14)18(24)25)21-29(26,27)12-3-1-11(2-4-12)17(23)22-5-7-28-8-6-22/h1-4,9-10,21H,5-8H2,(H,24,25)
InChIKeyQKZNBYUVWRKMIS-UHFFFAOYSA-N
XLogP1.94
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
4-fluoro-N-[5-(morpholine-4-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333186
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
2,5-difluoro-4-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylamino]benzoic acid
CID 130296884
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418
2,5-difluoro-4-[[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]phenyl]sulfonylamino]benzoic acid
CID 130296835
4-bromo-N-[5-(morpholine-4-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333177
N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37498704

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid (CID 130296898) is 2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid is O=C(O)c1cc(F)c(NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is QKZNBYUVWRKMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O6S/c19-14-10-16(15(20)9-13(14)18(24)25)21-29(26,27)12-3-1-11(2-4-12)17(23)22-5-7-28-8-6-22/h1-4,9-10,21H,5-8H2,(H,24,25).
What are the key properties of 2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid?
2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 426.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 130296898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).