3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid

C18H16N2O5S — CID 117072250

IUPAC3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
SMILESCc1noc(C)c1-c1cc(NS(=O)(=O)c2ccccc2)cc(C(=O)O)c1
InChIInChI=1S/C18H16N2O5S/c1-11-17(12(2)25-19-11)13-8-14(18(21)22)10-15(9-13)20-26(23,24)16-6-4-3-5-7-16/h3-10,20H,1-2H3,(H,21,22)
InChIKeyFFWKFJNEMDSJKS-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.46
Rot. Bonds5

About 3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid

3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid (PubChem CID 117072250) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid.

Molecular Properties

Compound Name3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
PubChem CID117072250
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
SMILESCc1noc(C)c1-c1cc(NS(=O)(=O)c2ccccc2)cc(C(=O)O)c1
InChIInChI=1S/C18H16N2O5S/c1-11-17(12(2)25-19-11)13-8-14(18(21)22)10-15(9-13)20-26(23,24)16-6-4-3-5-7-16/h3-10,20H,1-2H3,(H,21,22)
InChIKeyFFWKFJNEMDSJKS-UHFFFAOYSA-N
XLogP3.46
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid?
The IUPAC name of 3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid (CID 117072250) is 3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid.
What is the SMILES notation for 3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid?
The canonical SMILES for 3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid is Cc1noc(C)c1-c1cc(NS(=O)(=O)c2ccccc2)cc(C(=O)O)c1.
What is the InChIKey of 3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid?
The InChIKey is FFWKFJNEMDSJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-11-17(12(2)25-19-11)13-8-14(18(21)22)10-15(9-13)20-26(23,24)16-6-4-3-5-7-16/h3-10,20H,1-2H3,(H,21,22).
What are the key properties of 3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid?
3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid has a molecular weight of 372.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid is sourced from PubChem (CID 117072250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).