2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide

C16H13Cl2N5O3S2 — CID 509310

IUPAC2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESNS(=O)(=O)c1ccc(CNc2nnc(NC(=O)c3c(Cl)cccc3Cl)s2)cc1
InChIInChI=1S/C16H13Cl2N5O3S2/c17-11-2-1-3-12(18)13(11)14(24)21-16-23-22-15(27-16)20-8-9-4-6-10(7-5-9)28(19,25)26/h1-7H,8H2,(H,20,22)(H2,19,25,26)(H,21,23,24)
InChIKeyOAEGGRNZEQUOCI-UHFFFAOYSA-N
MW458.35 g/mol
LogP3.36
Rot. Bonds6

About 2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide

2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 509310) has the molecular formula C16H13Cl2N5O3S2 and a molecular weight of 458.35 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID509310
Molecular FormulaC16H13Cl2N5O3S2
Molecular Weight458.35 g/mol
Exact Mass456.98
IUPAC Name2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESNS(=O)(=O)c1ccc(CNc2nnc(NC(=O)c3c(Cl)cccc3Cl)s2)cc1
InChIInChI=1S/C16H13Cl2N5O3S2/c17-11-2-1-3-12(18)13(11)14(24)21-16-23-22-15(27-16)20-8-9-4-6-10(7-5-9)28(19,25)26/h1-7H,8H2,(H,20,22)(H2,19,25,26)(H,21,23,24)
InChIKeyOAEGGRNZEQUOCI-UHFFFAOYSA-N
XLogP3.36
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.35
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-Chloro-5-diethylsulfamoyl-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 649199
2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1310230
2-Chloro-N-[5-(pyrrolidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017319
N-{5-[Benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}-3-chlorobenzamide
CID 16017570
2-chloro-N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16017621
N-{5-[Benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}-2-chlorobenzamide
CID 16017548
N-(5-{[(4-Chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-YL)-4-methylbenzamide
CID 16023037
2-Chloro-5-(piperidine-1-sulfonyl)-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 1087750
2-Chloro-N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-YL)benzamide
CID 16023033
Cambridge id 7109748
CID 2174228
2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509315
2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509334

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide (CID 509310) is 2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide is NS(=O)(=O)c1ccc(CNc2nnc(NC(=O)c3c(Cl)cccc3Cl)s2)cc1.
What is the InChIKey of 2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is OAEGGRNZEQUOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O3S2/c17-11-2-1-3-12(18)13(11)14(24)21-16-23-22-15(27-16)20-8-9-4-6-10(7-5-9)28(19,25)26/h1-7H,8H2,(H,20,22)(H2,19,25,26)(H,21,23,24).
What are the key properties of 2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 458.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 509310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).