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

C13H15N5O4S — CID 4060668

IUPAC3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H15N5O4S/c19-12(16-13-14-9-15-17-13)10-2-1-3-11(8-10)23(20,21)18-4-6-22-7-5-18/h1-3,8-9H,4-7H2,(H2,14,15,16,17,19)
InChIKeyCJYNYSKSOIRQNL-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.08
Rot. Bonds4

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

3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 4060668) has the molecular formula C13H15N5O4S and a molecular weight of 337.36 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID4060668
Molecular FormulaC13H15N5O4S
Molecular Weight337.36 g/mol
Exact Mass337.08
IUPAC Name3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H15N5O4S/c19-12(16-13-14-9-15-17-13)10-2-1-3-11(8-10)23(20,21)18-4-6-22-7-5-18/h1-3,8-9H,4-7H2,(H2,14,15,16,17,19)
InChIKeyCJYNYSKSOIRQNL-UHFFFAOYSA-N
XLogP0.08
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 4060668) is 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is CJYNYSKSOIRQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4S/c19-12(16-13-14-9-15-17-13)10-2-1-3-11(8-10)23(20,21)18-4-6-22-7-5-18/h1-3,8-9H,4-7H2,(H2,14,15,16,17,19).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 337.36 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 4060668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).