3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide

C20H16Cl2N6O2S — CID 58128850

IUPAC3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccn1
InChIInChI=1S/C20H16Cl2N6O2S/c21-18-9-8-17(11-19(18)22)31(29,30)28(13-16-3-1-2-10-23-16)12-14-4-6-15(7-5-14)20-24-26-27-25-20/h1-11H,12-13H2,(H,24,25,26,27)
InChIKeyZTRUSRAERNIQOW-UHFFFAOYSA-N
MW475.36 g/mol
LogP3.96
Rot. Bonds7

About 3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide

3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 58128850) has the molecular formula C20H16Cl2N6O2S and a molecular weight of 475.36 g/mol. Its IUPAC name is 3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
PubChem CID58128850
Molecular FormulaC20H16Cl2N6O2S
Molecular Weight475.36 g/mol
Exact Mass474.04
IUPAC Name3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccn1
InChIInChI=1S/C20H16Cl2N6O2S/c21-18-9-8-17(11-19(18)22)31(29,30)28(13-16-3-1-2-10-23-16)12-14-4-6-15(7-5-14)20-24-26-27-25-20/h1-11H,12-13H2,(H,24,25,26,27)
InChIKeyZTRUSRAERNIQOW-UHFFFAOYSA-N
XLogP3.96
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide (CID 58128850) is 3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(Cl)c(Cl)c1)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccn1.
What is the InChIKey of 3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is ZTRUSRAERNIQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N6O2S/c21-18-9-8-17(11-19(18)22)31(29,30)28(13-16-3-1-2-10-23-16)12-14-4-6-15(7-5-14)20-24-26-27-25-20/h1-11H,12-13H2,(H,24,25,26,27).
What are the key properties of 3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 475.36 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 58128850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).