N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C16H13ClN4O4S2 — CID 162672646

IUPACN-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C16H13ClN4O4S2/c17-11-2-1-3-12(8-11)19-14(22)9-26-16-21-20-15(25-16)10-4-6-13(7-5-10)27(18,23)24/h1-8H,9H2,(H,19,22)(H2,18,23,24)
InChIKeyKSJFCHKRVINFCW-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.77
Rot. Bonds6

About N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 162672646) has the molecular formula C16H13ClN4O4S2 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID162672646
Molecular FormulaC16H13ClN4O4S2
Molecular Weight424.89 g/mol
Exact Mass424.01
IUPAC NameN-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C16H13ClN4O4S2/c17-11-2-1-3-12(8-11)19-14(22)9-26-16-21-20-15(25-16)10-4-6-13(7-5-10)27(18,23)24/h1-8H,9H2,(H,19,22)(H2,18,23,24)
InChIKeyKSJFCHKRVINFCW-UHFFFAOYSA-N
XLogP2.77
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 162672646) is N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is KSJFCHKRVINFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O4S2/c17-11-2-1-3-12(8-11)19-14(22)9-26-16-21-20-15(25-16)10-4-6-13(7-5-10)27(18,23)24/h1-8H,9H2,(H,19,22)(H2,18,23,24).
What are the key properties of N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 424.89 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 162672646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).