4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide

C19H22N8O2S — CID 118257502

IUPAC4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(c2ccc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C19H22N8O2S/c20-19(21)27-10-8-13(9-11-27)12-4-6-14(7-5-12)15-2-1-3-16(30(22,28)29)17(15)18-23-25-26-24-18/h1-7,13H,8-11H2,(H3,20,21)(H2,22,28,29)(H,23,24,25,26)
InChIKeyJQIUUFBZZQXBLH-UHFFFAOYSA-N
MW426.51 g/mol
LogP1.25
Rot. Bonds4

About 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide

4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide (PubChem CID 118257502) has the molecular formula C19H22N8O2S and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide
PubChem CID118257502
Molecular FormulaC19H22N8O2S
Molecular Weight426.51 g/mol
Exact Mass426.16
IUPAC Name4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(c2ccc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C19H22N8O2S/c20-19(21)27-10-8-13(9-11-27)12-4-6-14(7-5-12)15-2-1-3-16(30(22,28)29)17(15)18-23-25-26-24-18/h1-7,13H,8-11H2,(H3,20,21)(H2,22,28,29)(H,23,24,25,26)
InChIKeyJQIUUFBZZQXBLH-UHFFFAOYSA-N
XLogP1.25
TPSA167.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265970
4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine
CID 122694079
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
3-[4-(4-ethenyl-2-oxo-1,3-oxazolidin-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 123403732
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 122694460
3-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257361
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069
3-[4-[[2-(1,2-dihydroimidazol-3-yl)ethylamino]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130230586
3-[4-[1-(3-aminocyclobutyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266049
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 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide?
The IUPAC name of 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide (CID 118257502) is 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(c2ccc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.
What is the InChIKey of 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide?
The InChIKey is JQIUUFBZZQXBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2S/c20-19(21)27-10-8-13(9-11-27)12-4-6-14(7-5-12)15-2-1-3-16(30(22,28)29)17(15)18-23-25-26-24-18/h1-7,13H,8-11H2,(H3,20,21)(H2,22,28,29)(H,23,24,25,26).
What are the key properties of 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide?
4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide has a molecular weight of 426.51 g/mol, XLogP of 1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide is sourced from PubChem (CID 118257502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).