2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide

C14H15ClN4O4S2 — CID 1252899

IUPAC2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1
InChIInChI=1S/C14H15ClN4O4S2/c1-9-17-18-14(24-9)16-13(20)11-8-10(2-3-12(11)15)25(21,22)19-4-6-23-7-5-19/h2-3,8H,4-7H2,1H3,(H,16,18,20)
InChIKeyYMZLHTNOUZRJAN-UHFFFAOYSA-N
MW402.89 g/mol
LogP1.77
Rot. Bonds4

About 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 1252899) has the molecular formula C14H15ClN4O4S2 and a molecular weight of 402.89 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID1252899
Molecular FormulaC14H15ClN4O4S2
Molecular Weight402.89 g/mol
Exact Mass402.02
IUPAC Name2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1
InChIInChI=1S/C14H15ClN4O4S2/c1-9-17-18-14(24-9)16-13(20)11-8-10(2-3-12(11)15)25(21,22)19-4-6-23-7-5-19/h2-3,8H,4-7H2,1H3,(H,16,18,20)
InChIKeyYMZLHTNOUZRJAN-UHFFFAOYSA-N
XLogP1.77
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 1252899) is 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide is Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YMZLHTNOUZRJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4S2/c1-9-17-18-14(24-9)16-13(20)11-8-10(2-3-12(11)15)25(21,22)19-4-6-23-7-5-19/h2-3,8H,4-7H2,1H3,(H,16,18,20).
What are the key properties of 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 402.89 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1252899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).