N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide

C16H12N2O4S — CID 59788779

IUPACN-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cocn1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H12N2O4S/c19-16(15-10-22-11-17-15)13-8-4-5-9-14(13)18-23(20,21)12-6-2-1-3-7-12/h1-11,18H
InChIKeyLOYUZKUNVIIYHT-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide

N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 59788779) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID59788779
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cocn1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H12N2O4S/c19-16(15-10-22-11-17-15)13-8-4-5-9-14(13)18-23(20,21)12-6-2-1-3-7-12/h1-11,18H
InChIKeyLOYUZKUNVIIYHT-UHFFFAOYSA-N
XLogP2.71
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide
CID 59788574
N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide
CID 134250666
N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide
CID 58883559
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide
CID 134250635
N-[2-[1-(2-methylphenyl)ethenyl]phenyl]benzenesulfonamide
CID 170558125
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 69308632
N-[2-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)phenyl]benzenesulfonamide
CID 70880021
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide (CID 59788779) is N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide is O=C(c1cocn1)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is LOYUZKUNVIIYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-16(15-10-22-11-17-15)13-8-4-5-9-14(13)18-23(20,21)12-6-2-1-3-7-12/h1-11,18H.
What are the key properties of N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide?
N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 328.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 59788779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).