2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide

C19H13ClN4O3S2 — CID 100595456

IUPAC2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)Nc2ccc3ccccc3c2)s1)c1ccccc1Cl
InChIInChI=1S/C19H13ClN4O3S2/c20-16-8-4-3-7-15(16)17(25)21-18-22-23-19(28-18)29(26,27)24-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,24H,(H,21,22,25)
InChIKeyMDALVDFIBZLOSI-UHFFFAOYSA-N
MW444.93 g/mol
LogP4.40
Rot. Bonds5

About 2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide

2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 100595456) has the molecular formula C19H13ClN4O3S2 and a molecular weight of 444.93 g/mol. Its IUPAC name is 2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID100595456
Molecular FormulaC19H13ClN4O3S2
Molecular Weight444.93 g/mol
Exact Mass444.01
IUPAC Name2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)Nc2ccc3ccccc3c2)s1)c1ccccc1Cl
InChIInChI=1S/C19H13ClN4O3S2/c20-16-8-4-3-7-15(16)17(25)21-18-22-23-19(28-18)29(26,27)24-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,24H,(H,21,22,25)
InChIKeyMDALVDFIBZLOSI-UHFFFAOYSA-N
XLogP4.40
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.93
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100761553
2-chloro-N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100513021
2-chloro-N-[5-[(2,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100744633
2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100598190
2-chloro-N-[5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100700425
N-[5-[(4-bromophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
CID 100579791
dimethyl 2-[[5-[(2-chlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfonylamino]benzene-1,4-dicarboxylate
CID 100663798
N-[5-(butan-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 133201796
2-chloro-N-[5-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100766365
N-[5-[(3,5-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 100660058
N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100559170
2-chloro-N-[5-(pentan-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 133178488

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 100595456) is 2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(S(=O)(=O)Nc2ccc3ccccc3c2)s1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is MDALVDFIBZLOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O3S2/c20-16-8-4-3-7-15(16)17(25)21-18-22-23-19(28-18)29(26,27)24-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,24H,(H,21,22,25).
What are the key properties of 2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 444.93 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 100595456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).