N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide

C8H8N4O3S3 — CID 47293601

IUPACN-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cnns2)s1
InChIInChI=1S/C8H8N4O3S3/c9-18(14,15)7-2-1-5(16-7)3-10-8(13)6-4-11-12-17-6/h1-2,4H,3H2,(H,10,13)(H2,9,14,15)
InChIKeyPSRGURRZAVYFQL-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.18
Rot. Bonds4

About N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide

N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 47293601) has the molecular formula C8H8N4O3S3 and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
PubChem CID47293601
Molecular FormulaC8H8N4O3S3
Molecular Weight304.38 g/mol
Exact Mass303.98
IUPAC NameN-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cnns2)s1
InChIInChI=1S/C8H8N4O3S3/c9-18(14,15)7-2-1-5(16-7)3-10-8(13)6-4-11-12-17-6/h1-2,4H,3H2,(H,10,13)(H2,9,14,15)
InChIKeyPSRGURRZAVYFQL-UHFFFAOYSA-N
XLogP0.18
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide (CID 47293601) is N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cnns2)s1.
What is the InChIKey of N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is PSRGURRZAVYFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S3/c9-18(14,15)7-2-1-5(16-7)3-10-8(13)6-4-11-12-17-6/h1-2,4H,3H2,(H,10,13)(H2,9,14,15).
What are the key properties of N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide?
N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 47293601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).