6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid

C18H14FNO6S — CID 23647769

IUPAC6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid
SMILESCOc1c(-c2ccoc2)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C18H14FNO6S/c1-25-17-14(11-8-9-26-10-11)6-7-15(16(17)18(21)22)20-27(23,24)13-4-2-12(19)3-5-13/h2-10,20H,1H3,(H,21,22)
InChIKeyHCVSSQYRQFCKIO-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.59
Rot. Bonds6

About 6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid

6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid (PubChem CID 23647769) has the molecular formula C18H14FNO6S and a molecular weight of 391.38 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid
PubChem CID23647769
Molecular FormulaC18H14FNO6S
Molecular Weight391.38 g/mol
Exact Mass391.05
IUPAC Name6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid
SMILESCOc1c(-c2ccoc2)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C18H14FNO6S/c1-25-17-14(11-8-9-26-10-11)6-7-15(16(17)18(21)22)20-27(23,24)13-4-2-12(19)3-5-13/h2-10,20H,1H3,(H,21,22)
InChIKeyHCVSSQYRQFCKIO-UHFFFAOYSA-N
XLogP3.59
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Disubstituted anthranilic acid sulfonamide, 9h
CID 23647768
5,6-Disubstituted anthranilic acid sulfonamide, 16a
CID 23647775
2-(2-Aminoethoxy)-3-Ethyl-6-{[(4-Fluorophenyl)sulfonyl]amino}benzoic Acid
CID 23647776
5,6-Disubstituted anthranilic acid sulfonamide, 19a
CID 23647778
5,6-Disubstituted anthranilic acid sulfonamide, 19i
CID 17748229
5,6-Disubstituted anthranilic acid sulfonamide, 9j
CID 23647770
5,6-Disubstituted anthranilic acid sulfonamide, 9k
CID 23647771
5,6-Disubstituted anthranilic acid sulfonamide, 19h
CID 23647785
2-(2-Azaniumylethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoate
CID 44629443
5,6-Disubstituted anthranilic acid sulfonamide, 17b
CID 23647777
N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 10362525
7-[2-((Z)-3-diethylaminoprop-1-enyl)-4-fluorobenzenesulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid
CID 56643565

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid?
The IUPAC name of 6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid (CID 23647769) is 6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid.
What is the SMILES notation for 6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid?
The canonical SMILES for 6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid is COc1c(-c2ccoc2)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid?
The InChIKey is HCVSSQYRQFCKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO6S/c1-25-17-14(11-8-9-26-10-11)6-7-15(16(17)18(21)22)20-27(23,24)13-4-2-12(19)3-5-13/h2-10,20H,1H3,(H,21,22).
What are the key properties of 6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid?
6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid has a molecular weight of 391.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)sulfonylamino]-3-(furan-3-yl)-2-methoxybenzoic acid is sourced from PubChem (CID 23647769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).