4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

C10H10N2O3S — CID 91595667

IUPAC4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C10H10N2O3S/c1-7-12-6-10(15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)
InChIKeyFETRXICILYMBJH-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.30
Rot. Bonds2

About 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 91595667) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID91595667
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C10H10N2O3S/c1-7-12-6-10(15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)
InChIKeyFETRXICILYMBJH-UHFFFAOYSA-N
XLogP1.30
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 91595667) is 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1ncc(-c2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is FETRXICILYMBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-7-12-6-10(15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14).
What are the key properties of 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 238.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 91595667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).