N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide

C15H13ClN4O4S2 — CID 2057792

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1
InChIInChI=1S/C15H13ClN4O4S2/c1-20(2)26(22,23)10-5-3-9(4-6-10)13(21)17-15-19-18-14(24-15)11-7-8-12(16)25-11/h3-8H,1-2H3,(H,17,19,21)
InChIKeyNXCOSLVEMIRFGT-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.95
Rot. Bonds5

About N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 2057792) has the molecular formula C15H13ClN4O4S2 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
PubChem CID2057792
Molecular FormulaC15H13ClN4O4S2
Molecular Weight412.88 g/mol
Exact Mass412.01
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1
InChIInChI=1S/C15H13ClN4O4S2/c1-20(2)26(22,23)10-5-3-9(4-6-10)13(21)17-15-19-18-14(24-15)11-7-8-12(16)25-11/h3-8H,1-2H3,(H,17,19,21)
InChIKeyNXCOSLVEMIRFGT-UHFFFAOYSA-N
XLogP2.95
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide (CID 2057792) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is NXCOSLVEMIRFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4S2/c1-20(2)26(22,23)10-5-3-9(4-6-10)13(21)17-15-19-18-14(24-15)11-7-8-12(16)25-11/h3-8H,1-2H3,(H,17,19,21).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 412.88 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2057792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).