4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide

C13H14FN5O4S — CID 2334782

IUPAC4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H14FN5O4S/c14-10-2-1-9(12(20)17-13-15-8-16-18-13)7-11(10)24(21,22)19-3-5-23-6-4-19/h1-2,7-8H,3-6H2,(H2,15,16,17,18,20)
InChIKeyLTGYLUWHZPZWRT-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.22
Rot. Bonds4

About 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide

4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 2334782) has the molecular formula C13H14FN5O4S and a molecular weight of 355.35 g/mol. Its IUPAC name is 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID2334782
Molecular FormulaC13H14FN5O4S
Molecular Weight355.35 g/mol
Exact Mass355.08
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H14FN5O4S/c14-10-2-1-9(12(20)17-13-15-8-16-18-13)7-11(10)24(21,22)19-3-5-23-6-4-19/h1-2,7-8H,3-6H2,(H2,15,16,17,18,20)
InChIKeyLTGYLUWHZPZWRT-UHFFFAOYSA-N
XLogP0.22
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26066731
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673
N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2302190
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537140

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 2334782) is 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is LTGYLUWHZPZWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O4S/c14-10-2-1-9(12(20)17-13-15-8-16-18-13)7-11(10)24(21,22)19-3-5-23-6-4-19/h1-2,7-8H,3-6H2,(H2,15,16,17,18,20).
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 355.35 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 2334782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).