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

C19H17ClN4O4S2 — CID 1107099

IUPAC4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H17ClN4O4S2/c20-15-7-6-14(12-16(15)30(26,27)24-8-10-28-11-9-24)17(25)21-19-23-22-18(29-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,21,23,25)
InChIKeyWHHLONRJSZVFHN-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.13
Rot. Bonds5

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

4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1107099) has the molecular formula C19H17ClN4O4S2 and a molecular weight of 464.96 g/mol. Its IUPAC name is 4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1107099
Molecular FormulaC19H17ClN4O4S2
Molecular Weight464.96 g/mol
Exact Mass464.04
IUPAC Name4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H17ClN4O4S2/c20-15-7-6-14(12-16(15)30(26,27)24-8-10-28-11-9-24)17(25)21-19-23-22-18(29-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,21,23,25)
InChIKeyWHHLONRJSZVFHN-UHFFFAOYSA-N
XLogP3.13
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 1107099) is 4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is WHHLONRJSZVFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S2/c20-15-7-6-14(12-16(15)30(26,27)24-8-10-28-11-9-24)17(25)21-19-23-22-18(29-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,21,23,25).
What are the key properties of 4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 464.96 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1107099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).