4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C12H14N4O3S2 — CID 745411

IUPAC4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1
InChIInChI=1S/C12H14N4O3S2/c1-8-14-15-12(20-8)13-11(17)9-4-6-10(7-5-9)21(18,19)16(2)3/h4-7H,1-3H3,(H,13,15,17)
InChIKeyJBPNETUJKFMEDT-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.35
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 745411) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID745411
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1
InChIInChI=1S/C12H14N4O3S2/c1-8-14-15-12(20-8)13-11(17)9-4-6-10(7-5-9)21(18,19)16(2)3/h4-7H,1-3H3,(H,13,15,17)
InChIKeyJBPNETUJKFMEDT-UHFFFAOYSA-N
XLogP1.35
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 745411) is 4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is JBPNETUJKFMEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-8-14-15-12(20-8)13-11(17)9-4-6-10(7-5-9)21(18,19)16(2)3/h4-7H,1-3H3,(H,13,15,17).
What are the key properties of 4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 745411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).