2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide

C16H11Cl2N3O2S — CID 175746600

IUPAC2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
SMILESO=C(Nc1nc(=O)n(Cc2ccc(Cl)cc2)s1)c1ccccc1Cl
InChIInChI=1S/C16H11Cl2N3O2S/c17-11-7-5-10(6-8-11)9-21-16(23)20-15(24-21)19-14(22)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,20,22,23)
InChIKeyAPNBAPWWOYLFNC-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.91
Rot. Bonds4

About 2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide

2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 175746600) has the molecular formula C16H11Cl2N3O2S and a molecular weight of 380.26 g/mol. Its IUPAC name is 2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID175746600
Molecular FormulaC16H11Cl2N3O2S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC Name2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
SMILESO=C(Nc1nc(=O)n(Cc2ccc(Cl)cc2)s1)c1ccccc1Cl
InChIInChI=1S/C16H11Cl2N3O2S/c17-11-7-5-10(6-8-11)9-21-16(23)20-15(24-21)19-14(22)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,20,22,23)
InChIKeyAPNBAPWWOYLFNC-UHFFFAOYSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide (CID 175746600) is 2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide is O=C(Nc1nc(=O)n(Cc2ccc(Cl)cc2)s1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is APNBAPWWOYLFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S/c17-11-7-5-10(6-8-11)9-21-16(23)20-15(24-21)19-14(22)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,20,22,23).
What are the key properties of 2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 380.26 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 175746600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).