N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide

C15H11Cl3N6O3S2 — CID 11720172

IUPACN-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3N6O3S2/c16-8-1-3-10(17)13(5-8)24-15(21-22-23-24)28-7-14(25)20-12-4-2-9(6-11(12)18)29(19,26)27/h1-6H,7H2,(H,20,25)(H2,19,26,27)
InChIKeyHZHUHHUWWJVJEC-UHFFFAOYSA-N
MW493.79 g/mol
LogP3.00
Rot. Bonds6

About N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 11720172) has the molecular formula C15H11Cl3N6O3S2 and a molecular weight of 493.79 g/mol. Its IUPAC name is N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID11720172
Molecular FormulaC15H11Cl3N6O3S2
Molecular Weight493.79 g/mol
Exact Mass491.94
IUPAC NameN-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3N6O3S2/c16-8-1-3-10(17)13(5-8)24-15(21-22-23-24)28-7-14(25)20-12-4-2-9(6-11(12)18)29(19,26)27/h1-6H,7H2,(H,20,25)(H2,19,26,27)
InChIKeyHZHUHHUWWJVJEC-UHFFFAOYSA-N
XLogP3.00
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.79
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 11720172) is N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide is NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(Cl)ccc2Cl)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is HZHUHHUWWJVJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N6O3S2/c16-8-1-3-10(17)13(5-8)24-15(21-22-23-24)28-7-14(25)20-12-4-2-9(6-11(12)18)29(19,26)27/h1-6H,7H2,(H,20,25)(H2,19,26,27).
What are the key properties of N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 493.79 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 11720172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).