5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid

C20H14FNO5S — CID 7574180

IUPAC5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
SMILESCc1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc32)c1C(=O)O
InChIInChI=1S/C20H14FNO5S/c1-11-18(20(23)24)16-10-17(14-4-2-3-5-15(14)19(16)27-11)22-28(25,26)13-8-6-12(21)7-9-13/h2-10,22H,1H3,(H,23,24)
InChIKeyPMIYUMRMSFLDJX-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.53
Rot. Bonds4

About 5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid

5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid (PubChem CID 7574180) has the molecular formula C20H14FNO5S and a molecular weight of 399.40 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
PubChem CID7574180
Molecular FormulaC20H14FNO5S
Molecular Weight399.40 g/mol
Exact Mass399.06
IUPAC Name5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
SMILESCc1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc32)c1C(=O)O
InChIInChI=1S/C20H14FNO5S/c1-11-18(20(23)24)16-10-17(14-4-2-3-5-15(14)19(16)27-11)22-28(25,26)13-8-6-12(21)7-9-13/h2-10,22H,1H3,(H,23,24)
InChIKeyPMIYUMRMSFLDJX-UHFFFAOYSA-N
XLogP4.53
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 16761798
5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
CID 25037352
methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
CID 2486172
N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-ethylbenzenesulfonamide
CID 1105992
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 5000421
ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 1490255
6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid
CID 23647766
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate
CID 1326813
7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25047325
4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 25038212
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55645161

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid (CID 7574180) is 5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid is Cc1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc32)c1C(=O)O.
What is the InChIKey of 5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid?
The InChIKey is PMIYUMRMSFLDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO5S/c1-11-18(20(23)24)16-10-17(14-4-2-3-5-15(14)19(16)27-11)22-28(25,26)13-8-6-12(21)7-9-13/h2-10,22H,1H3,(H,23,24).
What are the key properties of 5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid?
5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid has a molecular weight of 399.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid is sourced from PubChem (CID 7574180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).