N-(1,2-benzoxazol-3-yl)benzenesulfonamide

C13H10N2O3S — CID 175223213

IUPACN-(1,2-benzoxazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1noc2ccccc12)c1ccccc1
InChIInChI=1S/C13H10N2O3S/c16-19(17,10-6-2-1-3-7-10)15-13-11-8-4-5-9-12(11)18-14-13/h1-9H,(H,14,15)
InChIKeyWUIBQIHODBQUID-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.63
Rot. Bonds3

About N-(1,2-benzoxazol-3-yl)benzenesulfonamide

N-(1,2-benzoxazol-3-yl)benzenesulfonamide (PubChem CID 175223213) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)benzenesulfonamide
PubChem CID175223213
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC NameN-(1,2-benzoxazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1noc2ccccc12)c1ccccc1
InChIInChI=1S/C13H10N2O3S/c16-19(17,10-6-2-1-3-7-10)15-13-11-8-4-5-9-12(11)18-14-13/h1-9H,(H,14,15)
InChIKeyWUIBQIHODBQUID-UHFFFAOYSA-N
XLogP2.63
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)benzenesulfonamide (CID 175223213) is N-(1,2-benzoxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1noc2ccccc12)c1ccccc1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)benzenesulfonamide?
The InChIKey is WUIBQIHODBQUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c16-19(17,10-6-2-1-3-7-10)15-13-11-8-4-5-9-12(11)18-14-13/h1-9H,(H,14,15).
What are the key properties of N-(1,2-benzoxazol-3-yl)benzenesulfonamide?
N-(1,2-benzoxazol-3-yl)benzenesulfonamide has a molecular weight of 274.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 175223213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).