2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide

C18H19N9O2S — CID 118265928

IUPAC2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(CNCCc3ncn[nH]3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C18H19N9O2S/c19-30(28,29)15-3-1-2-14(17(15)18-24-26-27-25-18)13-6-4-12(5-7-13)10-20-9-8-16-21-11-22-23-16/h1-7,11,20H,8-10H2,(H2,19,28,29)(H,21,22,23)(H,24,25,26,27)
InChIKeyHWDAATFCCFUKOS-UHFFFAOYSA-N
MW425.48 g/mol
LogP0.63
Rot. Bonds8

About 2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide

2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide (PubChem CID 118265928) has the molecular formula C18H19N9O2S and a molecular weight of 425.48 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide
PubChem CID118265928
Molecular FormulaC18H19N9O2S
Molecular Weight425.48 g/mol
Exact Mass425.14
IUPAC Name2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(CNCCc3ncn[nH]3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C18H19N9O2S/c19-30(28,29)15-3-1-2-14(17(15)18-24-26-27-25-18)13-6-4-12(5-7-13)10-20-9-8-16-21-11-22-23-16/h1-7,11,20H,8-10H2,(H2,19,28,29)(H,21,22,23)(H,24,25,26,27)
InChIKeyHWDAATFCCFUKOS-UHFFFAOYSA-N
XLogP0.63
TPSA168.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide with MolForge

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Related Compounds

2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
3-[4-[[2-(1,2-dihydroimidazol-3-yl)ethylamino]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130230586
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
3-[[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 118266609
3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266097
2-(2H-tetrazol-5-yl)-3-[4-[[1-(3H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide
CID 122694310
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257012
2-[methyl-[[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]acetic acid
CID 118266555
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069
3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266312
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 2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide (CID 118265928) is 2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(CNCCc3ncn[nH]3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide?
The InChIKey is HWDAATFCCFUKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O2S/c19-30(28,29)15-3-1-2-14(17(15)18-24-26-27-25-18)13-6-4-12(5-7-13)10-20-9-8-16-21-11-22-23-16/h1-7,11,20H,8-10H2,(H2,19,28,29)(H,21,22,23)(H,24,25,26,27).
What are the key properties of 2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide?
2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide has a molecular weight of 425.48 g/mol, XLogP of 0.63, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-3-[4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 118265928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).