2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C19H16Cl2N4O4S2 — CID 1322381

IUPAC2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N4O4S2/c20-14-11-15(21)16(31(27,28)25-6-8-29-9-7-25)10-13(14)17(26)22-19-24-23-18(30-19)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,22,24,26)
InChIKeyIKIUPKGKSCTCCV-UHFFFAOYSA-N
MW499.40 g/mol
LogP3.79
Rot. Bonds5

About 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1322381) has the molecular formula C19H16Cl2N4O4S2 and a molecular weight of 499.40 g/mol. Its IUPAC name is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1322381
Molecular FormulaC19H16Cl2N4O4S2
Molecular Weight499.40 g/mol
Exact Mass498.00
IUPAC Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N4O4S2/c20-14-11-15(21)16(31(27,28)25-6-8-29-9-7-25)10-13(14)17(26)22-19-24-23-18(30-19)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,22,24,26)
InChIKeyIKIUPKGKSCTCCV-UHFFFAOYSA-N
XLogP3.79
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 1322381) is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccc2)s1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is IKIUPKGKSCTCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O4S2/c20-14-11-15(21)16(31(27,28)25-6-8-29-9-7-25)10-13(14)17(26)22-19-24-23-18(30-19)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,22,24,26).
What are the key properties of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 499.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1322381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).