2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid

C15H14FNO6S — CID 1239984

IUPAC2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)cc1OC
InChIInChI=1S/C15H14FNO6S/c1-22-13-7-11(15(18)19)12(8-14(13)23-2)17-24(20,21)10-5-3-9(16)4-6-10/h3-8,17H,1-2H3,(H,18,19)
InChIKeyLFSRMUWWAGBOPS-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.34
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid

2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid (PubChem CID 1239984) has the molecular formula C15H14FNO6S and a molecular weight of 355.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
PubChem CID1239984
Molecular FormulaC15H14FNO6S
Molecular Weight355.34 g/mol
Exact Mass355.05
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)cc1OC
InChIInChI=1S/C15H14FNO6S/c1-22-13-7-11(15(18)19)12(8-14(13)23-2)17-24(20,21)10-5-3-9(16)4-6-10/h3-8,17H,1-2H3,(H,18,19)
InChIKeyLFSRMUWWAGBOPS-UHFFFAOYSA-N
XLogP2.34
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-Dimethoxyanthranilic acid
CID 79736
Methyl 4,5-dimethoxyanthranilate
CID 611144
2-Amino-5-ethoxy-4-methoxybenzoic acid
CID 4962862
2-{[(4-Methylphenyl)sulfonyl]amino}-4-Phenoxybenzoic Acid
CID 71300317
5-(4-Carboxyphenoxy)-2-{[(4-Methylphenyl)sulfonyl]amino}benzoic Acid
CID 71819717
N-(7-Acetyl-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-methylbenzenesulfonamide
CID 1263107
2-(4-Ethoxybenzenesulfonamido)-4,5-dimethoxybenzoic acid
CID 2082583
ACS No 145
CID 6931137
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-methylbenzenesulfonamide
CID 858777
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-methoxybenzenesulfonamide
CID 858780
2-(p-Tolylsulfonylamino)-5-[2-(trifluoromethoxy)phenoxy]benzoic acid
CID 72725000
2-{[(4-Chlorophenyl)sulfonyl]amino}-4,5-dimethoxybenzoic acid
CID 1239991

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid (CID 1239984) is 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid is COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The InChIKey is LFSRMUWWAGBOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO6S/c1-22-13-7-11(15(18)19)12(8-14(13)23-2)17-24(20,21)10-5-3-9(16)4-6-10/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid has a molecular weight of 355.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 1239984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).