3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

C17H16N6O2S — CID 130238599

IUPAC3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESC=N/C=C\c1cc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)ccc1C
InChIInChI=1S/C17H16N6O2S/c1-11-6-7-13(10-12(11)8-9-19-2)14-4-3-5-15(26(18,24)25)16(14)17-20-22-23-21-17/h3-10H,2H2,1H3,(H2,18,24,25)(H,20,21,22,23)/b9-8-
InChIKeyICMZIDGVLCZXPQ-HJWRWDBZSA-N
MW368.42 g/mol
LogP2.16
Rot. Bonds5

About 3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 130238599) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID130238599
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESC=N/C=C\c1cc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)ccc1C
InChIInChI=1S/C17H16N6O2S/c1-11-6-7-13(10-12(11)8-9-19-2)14-4-3-5-15(26(18,24)25)16(14)17-20-22-23-21-17/h3-10H,2H2,1H3,(H2,18,24,25)(H,20,21,22,23)/b9-8-
InChIKeyICMZIDGVLCZXPQ-HJWRWDBZSA-N
XLogP2.16
TPSA126.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266312
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257012
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
3-(1H-indazol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266110
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069
3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265360
3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonic acid
CID 171351889
3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266097
3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266109
3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 123403732

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 130238599) is 3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is C=N/C=C\c1cc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)ccc1C.
What is the InChIKey of 3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is ICMZIDGVLCZXPQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-11-6-7-13(10-12(11)8-9-19-2)14-4-3-5-15(26(18,24)25)16(14)17-20-22-23-21-17/h3-10H,2H2,1H3,(H2,18,24,25)(H,20,21,22,23)/b9-8-.
What are the key properties of 3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 368.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 130238599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).