4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide

C16H15N3O5S2 — CID 22583085

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)co1
InChIInChI=1S/C16H15N3O5S2/c1-11-18-16(10-24-11)12-2-6-15(7-3-12)26(22,23)19-13-4-8-14(9-5-13)25(17,20)21/h2-10,19H,1H3,(H2,17,20,21)
InChIKeyIGWDTLUOJUXYIL-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.10
Rot. Bonds5

About 4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide

4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 22583085) has the molecular formula C16H15N3O5S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID22583085
Molecular FormulaC16H15N3O5S2
Molecular Weight393.45 g/mol
Exact Mass393.05
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)co1
InChIInChI=1S/C16H15N3O5S2/c1-11-18-16(10-24-11)12-2-6-15(7-3-12)26(22,23)19-13-4-8-14(9-5-13)25(17,20)21/h2-10,19H,1H3,(H2,17,20,21)
InChIKeyIGWDTLUOJUXYIL-UHFFFAOYSA-N
XLogP2.10
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 22583085) is 4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is IGWDTLUOJUXYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S2/c1-11-18-16(10-24-11)12-2-6-15(7-3-12)26(22,23)19-13-4-8-14(9-5-13)25(17,20)21/h2-10,19H,1H3,(H2,17,20,21).
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 393.45 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 22583085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).