6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid

C23H29FN2O5S — CID 23647784

IUPAC6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2/C=C\CN(CC)CC)c(C(=O)O)c1OC
InChIInChI=1S/C23H29FN2O5S/c1-5-16-10-12-19(21(23(27)28)22(16)31-4)25-32(29,30)20-13-11-18(24)15-17(20)9-8-14-26(6-2)7-3/h8-13,15,25H,5-7,14H2,1-4H3,(H,27,28)/b9-8-
InChIKeyXYHFJZWTQBHHSK-HJWRWDBZSA-N
MW464.56 g/mol
LogP4.25
Rot. Bonds11

About 6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid

6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid (PubChem CID 23647784) has the molecular formula C23H29FN2O5S and a molecular weight of 464.56 g/mol. Its IUPAC name is 6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid.

Molecular Properties

Compound Name6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid
PubChem CID23647784
Molecular FormulaC23H29FN2O5S
Molecular Weight464.56 g/mol
Exact Mass464.18
IUPAC Name6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2/C=C\CN(CC)CC)c(C(=O)O)c1OC
InChIInChI=1S/C23H29FN2O5S/c1-5-16-10-12-19(21(23(27)28)22(16)31-4)25-32(29,30)20-13-11-18(24)15-17(20)9-8-14-26(6-2)7-3/h8-13,15,25H,5-7,14H2,1-4H3,(H,27,28)/b9-8-
InChIKeyXYHFJZWTQBHHSK-HJWRWDBZSA-N
XLogP4.25
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid with MolForge

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Related Compounds

(1aR,7bS)-5-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid
CID 71470743
7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid
CID 56656346
methyl 5-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-7b-methyl-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylate
CID 86713296
[6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-5-yl] hydrogen carbonate
CID 118289782
methyl 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-fluoro-4H-furo[2,3-c]chromene-6-carboxylate
CID 66692972
methyl (3aS,9bS)-7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylate
CID 89182889
3-cyclopropyl-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-2-methoxybenzoic acid
CID 123423099
7-[[2-[(Z)-4-(diethylamino)but-1-enyl]-4-fluorophenyl]sulfonylamino]-3,4-dimethyl-3,4-dihydro-2H-chromene-8-carboxylic acid
CID 89182943
3-ethyl-6-[[4-fluoro-2-[4-(2-methylpyrrolidin-1-yl)butyl]phenyl]sulfonylamino]-2-methoxybenzoic acid
CID 68864186
methyl (3aR,9bR)-5-acetyl-7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]quinoline-6-carboxylate
CID 86713243
methyl 3-bromo-6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylmethyl]-2-hydroxybenzoate
CID 66693503
3-ethyl-2-methoxy-6-[[2-(2-phenylethyl)phenyl]sulfonylamino]benzoic acid
CID 68862480

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid?
The IUPAC name of 6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid (CID 23647784) is 6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid.
What is the SMILES notation for 6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid?
The canonical SMILES for 6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid is CCc1ccc(NS(=O)(=O)c2ccc(F)cc2/C=C\CN(CC)CC)c(C(=O)O)c1OC.
What is the InChIKey of 6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid?
The InChIKey is XYHFJZWTQBHHSK-HJWRWDBZSA-N. The full InChI is InChI=1S/C23H29FN2O5S/c1-5-16-10-12-19(21(23(27)28)22(16)31-4)25-32(29,30)20-13-11-18(24)15-17(20)9-8-14-26(6-2)7-3/h8-13,15,25H,5-7,14H2,1-4H3,(H,27,28)/b9-8-.
What are the key properties of 6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid?
6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid has a molecular weight of 464.56 g/mol, XLogP of 4.25, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-3-ethyl-2-methoxybenzoic acid is sourced from PubChem (CID 23647784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).