5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

C10H9ClN4O3S2 — CID 80625452

IUPAC5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)c2nnc(Cl)s2)cc1
InChIInChI=1S/C10H9ClN4O3S2/c11-10-15-14-9(19-10)8(16)13-7-3-1-6(2-4-7)5-20(12,17)18/h1-4H,5H2,(H,13,16)(H2,12,17,18)
InChIKeyJFTWEMHVHYNIND-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.23
Rot. Bonds4

About 5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625452) has the molecular formula C10H9ClN4O3S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625452
Molecular FormulaC10H9ClN4O3S2
Molecular Weight332.79 g/mol
Exact Mass331.98
IUPAC Name5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)c2nnc(Cl)s2)cc1
InChIInChI=1S/C10H9ClN4O3S2/c11-10-15-14-9(19-10)8(16)13-7-3-1-6(2-4-7)5-20(12,17)18/h1-4H,5H2,(H,13,16)(H2,12,17,18)
InChIKeyJFTWEMHVHYNIND-UHFFFAOYSA-N
XLogP1.23
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 80625452) is 5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is NS(=O)(=O)Cc1ccc(NC(=O)c2nnc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JFTWEMHVHYNIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O3S2/c11-10-15-14-9(19-10)8(16)13-7-3-1-6(2-4-7)5-20(12,17)18/h1-4H,5H2,(H,13,16)(H2,12,17,18).
What are the key properties of 5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).