N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide

C16H12N6O3S — CID 86858423

IUPACN-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnco2)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12N6O3S/c23-26(24,15-3-1-2-14(8-15)22-10-18-20-21-22)19-13-6-4-12(5-7-13)16-9-17-11-25-16/h1-11,19H
InChIKeyNMIUSGVQIKAVQF-UHFFFAOYSA-N
MW368.38 g/mol
LogP2.12
Rot. Bonds5

About N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide

N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 86858423) has the molecular formula C16H12N6O3S and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide
PubChem CID86858423
Molecular FormulaC16H12N6O3S
Molecular Weight368.38 g/mol
Exact Mass368.07
IUPAC NameN-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnco2)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12N6O3S/c23-26(24,15-3-1-2-14(8-15)22-10-18-20-21-22)19-13-6-4-12(5-7-13)16-9-17-11-25-16/h1-11,19H
InChIKeyNMIUSGVQIKAVQF-UHFFFAOYSA-N
XLogP2.12
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide (CID 86858423) is N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cnco2)cc1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is NMIUSGVQIKAVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O3S/c23-26(24,15-3-1-2-14(8-15)22-10-18-20-21-22)19-13-6-4-12(5-7-13)16-9-17-11-25-16/h1-11,19H.
What are the key properties of N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide?
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 368.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 86858423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).