N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide

C25H27N5O4S — CID 1428872

IUPACN,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(OCC)cc1-n1cnnn1
InChIInChI=1S/C25H27N5O4S/c1-3-33-23-16-25(24(34-4-2)15-22(23)30-19-26-27-28-30)35(31,32)29(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-16,19H,3-4,17-18H2,1-2H3
InChIKeyUTOWJQUGCQYGKS-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.85
Rot. Bonds11

About N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide

N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1428872) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1428872
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC NameN,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(OCC)cc1-n1cnnn1
InChIInChI=1S/C25H27N5O4S/c1-3-33-23-16-25(24(34-4-2)15-22(23)30-19-26-27-28-30)35(31,32)29(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-16,19H,3-4,17-18H2,1-2H3
InChIKeyUTOWJQUGCQYGKS-UHFFFAOYSA-N
XLogP3.85
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)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 N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide (CID 1428872) is N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide is CCOc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(OCC)cc1-n1cnnn1.
What is the InChIKey of N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is UTOWJQUGCQYGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-3-33-23-16-25(24(34-4-2)15-22(23)30-19-26-27-28-30)35(31,32)29(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-16,19H,3-4,17-18H2,1-2H3.
What are the key properties of N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide?
N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1428872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).