N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide

C17H13N5O3S2 — CID 10150754

IUPACN-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
SMILESNS(=O)(=O)c1nn2cc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2s1
InChIInChI=1S/C17H13N5O3S2/c18-27(24,25)17-21-22-10-14(20-16(22)26-17)11-6-8-13(9-7-11)19-15(23)12-4-2-1-3-5-12/h1-10H,(H,19,23)(H2,18,24,25)
InChIKeyHPVPQCLNKAPHKM-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.36
Rot. Bonds4

About N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide

N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide (PubChem CID 10150754) has the molecular formula C17H13N5O3S2 and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
PubChem CID10150754
Molecular FormulaC17H13N5O3S2
Molecular Weight399.46 g/mol
Exact Mass399.05
IUPAC NameN-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
SMILESNS(=O)(=O)c1nn2cc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2s1
InChIInChI=1S/C17H13N5O3S2/c18-27(24,25)17-21-22-10-14(20-16(22)26-17)11-6-8-13(9-7-11)19-15(23)12-4-2-1-3-5-12/h1-10H,(H,19,23)(H2,18,24,25)
InChIKeyHPVPQCLNKAPHKM-UHFFFAOYSA-N
XLogP2.36
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The IUPAC name of N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide (CID 10150754) is N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide is NS(=O)(=O)c1nn2cc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2s1.
What is the InChIKey of N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The InChIKey is HPVPQCLNKAPHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S2/c18-27(24,25)17-21-22-10-14(20-16(22)26-17)11-6-8-13(9-7-11)19-15(23)12-4-2-1-3-5-12/h1-10H,(H,19,23)(H2,18,24,25).
What are the key properties of N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide has a molecular weight of 399.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 10150754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).