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

C14H15FN4O4S2 — CID 2125285

IUPAC4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1nnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C14H15FN4O4S2/c1-9-17-18-14(24-9)16-13(20)10-2-3-11(15)12(8-10)25(21,22)19-4-6-23-7-5-19/h2-3,8H,4-7H2,1H3,(H,16,18,20)
InChIKeyHINBYMHJOFSGSY-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.26
Rot. Bonds4

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

4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2125285) has the molecular formula C14H15FN4O4S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2125285
Molecular FormulaC14H15FN4O4S2
Molecular Weight386.43 g/mol
Exact Mass386.05
IUPAC Name4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1nnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C14H15FN4O4S2/c1-9-17-18-14(24-9)16-13(20)10-2-3-11(15)12(8-10)25(21,22)19-4-6-23-7-5-19/h2-3,8H,4-7H2,1H3,(H,16,18,20)
InChIKeyHINBYMHJOFSGSY-UHFFFAOYSA-N
XLogP1.26
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 2125285) is 4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is Cc1nnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of 4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HINBYMHJOFSGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O4S2/c1-9-17-18-14(24-9)16-13(20)10-2-3-11(15)12(8-10)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 4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 386.43 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2125285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).