3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C19H16N6O3S — CID 118266278

IUPAC3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2cc(-c3ccc(=O)[nH]c3)cc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C19H16N6O3S/c1-11-2-4-12(5-3-11)15-8-14(13-6-7-17(26)21-10-13)9-16(29(20,27)28)18(15)19-22-24-25-23-19/h2-10H,1H3,(H,21,26)(H2,20,27,28)(H,22,23,24,25)
InChIKeyNWTSLAUWCFNYET-UHFFFAOYSA-N
MW408.44 g/mol
LogP1.84
Rot. Bonds4

About 3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266278) has the molecular formula C19H16N6O3S and a molecular weight of 408.44 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266278
Molecular FormulaC19H16N6O3S
Molecular Weight408.44 g/mol
Exact Mass408.10
IUPAC Name3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2cc(-c3ccc(=O)[nH]c3)cc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C19H16N6O3S/c1-11-2-4-12(5-3-11)15-8-14(13-6-7-17(26)21-10-13)9-16(29(20,27)28)18(15)19-22-24-25-23-19/h2-10H,1H3,(H,21,26)(H2,20,27,28)(H,22,23,24,25)
InChIKeyNWTSLAUWCFNYET-UHFFFAOYSA-N
XLogP1.84
TPSA147.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266420
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonic acid
CID 171351889
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide
CID 118257448
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-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130238599
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
2-[methyl-[[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]acetic acid
CID 118266555
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257012

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266278) is 3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1ccc(-c2cc(-c3ccc(=O)[nH]c3)cc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is NWTSLAUWCFNYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S/c1-11-2-4-12(5-3-11)15-8-14(13-6-7-17(26)21-10-13)9-16(29(20,27)28)18(15)19-22-24-25-23-19/h2-10H,1H3,(H,21,26)(H2,20,27,28)(H,22,23,24,25).
What are the key properties of 3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 408.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).