3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

C18H16N6O4S — CID 123403732

IUPAC3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESC=CC1NC(=O)OC1c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H16N6O4S/c1-2-13-16(28-18(25)20-13)11-8-6-10(7-9-11)12-4-3-5-14(29(19,26)27)15(12)17-21-23-24-22-17/h2-9,13,16H,1H2,(H,20,25)(H2,19,26,27)(H,21,22,23,24)
InChIKeyMIKUVHBCLDCCDV-UHFFFAOYSA-N
MW412.43 g/mol
LogP1.52
Rot. Bonds5

About 3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 123403732) has the molecular formula C18H16N6O4S and a molecular weight of 412.43 g/mol. Its IUPAC name is 3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID123403732
Molecular FormulaC18H16N6O4S
Molecular Weight412.43 g/mol
Exact Mass412.10
IUPAC Name3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESC=CC1NC(=O)OC1c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H16N6O4S/c1-2-13-16(28-18(25)20-13)11-8-6-10(7-9-11)12-4-3-5-14(29(19,26)27)15(12)17-21-23-24-22-17/h2-9,13,16H,1H2,(H,20,25)(H2,19,26,27)(H,21,22,23,24)
InChIKeyMIKUVHBCLDCCDV-UHFFFAOYSA-N
XLogP1.52
TPSA152.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide
CID 118257502
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069
3-[4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265970
3-(1H-indazol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266110
3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266312
4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine
CID 122694079
3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130238599
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257012
3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266109

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 123403732) is 3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is C=CC1NC(=O)OC1c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is MIKUVHBCLDCCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O4S/c1-2-13-16(28-18(25)20-13)11-8-6-10(7-9-11)12-4-3-5-14(29(19,26)27)15(12)17-21-23-24-22-17/h2-9,13,16H,1H2,(H,20,25)(H2,19,26,27)(H,21,22,23,24).
What are the key properties of 3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 412.43 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 123403732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).