3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid

C17H13NO5S — CID 167245137

IUPAC3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccco2)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H13NO5S/c19-17(20)12-8-9-14(16-7-4-10-23-16)15(11-12)18-24(21,22)13-5-2-1-3-6-13/h1-11,18H,(H,19,20)
InChIKeyFBJNUPWOLBNKMQ-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.45
Rot. Bonds5

About 3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid

3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid (PubChem CID 167245137) has the molecular formula C17H13NO5S and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid
PubChem CID167245137
Molecular FormulaC17H13NO5S
Molecular Weight343.36 g/mol
Exact Mass343.05
IUPAC Name3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccco2)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H13NO5S/c19-17(20)12-8-9-14(16-7-4-10-23-16)15(11-12)18-24(21,22)13-5-2-1-3-6-13/h1-11,18H,(H,19,20)
InChIKeyFBJNUPWOLBNKMQ-UHFFFAOYSA-N
XLogP3.45
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide
CID 166521441
4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
CID 166521435
4-(carboxymethyl)-3-(furan-2-yl)benzoic acid
CID 67569971
3-[(4-cyanophenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 51135610
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
CID 43218183
N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 166521368
3-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzoic acid
CID 118952599
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
3-(benzenesulfonamido)-4-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid
CID 46291835
methyl 4-[[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]sulfamoyl]benzoate
CID 90563586
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid?
The IUPAC name of 3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid (CID 167245137) is 3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid.
What is the SMILES notation for 3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid?
The canonical SMILES for 3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid is O=C(O)c1ccc(-c2ccco2)c(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid?
The InChIKey is FBJNUPWOLBNKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5S/c19-17(20)12-8-9-14(16-7-4-10-23-16)15(11-12)18-24(21,22)13-5-2-1-3-6-13/h1-11,18H,(H,19,20).
What are the key properties of 3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid?
3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid has a molecular weight of 343.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-4-(furan-2-yl)benzoic acid is sourced from PubChem (CID 167245137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).