N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide

C18H14N4O3S — CID 6624888

IUPACN-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccno2)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H14N4O3S/c23-26(24,17-8-6-16(7-9-17)22-13-1-11-19-22)21-15-4-2-14(3-5-15)18-10-12-20-25-18/h1-13,21H
InChIKeyLPXUPZSGZIGKGH-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.33
Rot. Bonds5

About N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 6624888) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID6624888
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccno2)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H14N4O3S/c23-26(24,17-8-6-16(7-9-17)22-13-1-11-19-22)21-15-4-2-14(3-5-15)18-10-12-20-25-18/h1-13,21H
InChIKeyLPXUPZSGZIGKGH-UHFFFAOYSA-N
XLogP3.33
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 6624888) is N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccno2)cc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is LPXUPZSGZIGKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c23-26(24,17-8-6-16(7-9-17)22-13-1-11-19-22)21-15-4-2-14(3-5-15)18-10-12-20-25-18/h1-13,21H.
What are the key properties of N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 366.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-oxazol-5-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 6624888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).