5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide

C13H15N5O4S — CID 169404669

IUPAC5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H15N5O4S/c14-13(19)12-11(15-17-16-12)9-3-1-2-4-10(9)23(20,21)18-5-7-22-8-6-18/h1-4H,5-8H2,(H2,14,19)(H,15,16,17)
InChIKeyIMPLHLPBSBBPOO-UHFFFAOYSA-N
MW337.36 g/mol
LogP-0.41
Rot. Bonds4

About 5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide

5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide (PubChem CID 169404669) has the molecular formula C13H15N5O4S and a molecular weight of 337.36 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide
PubChem CID169404669
Molecular FormulaC13H15N5O4S
Molecular Weight337.36 g/mol
Exact Mass337.08
IUPAC Name5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H15N5O4S/c14-13(19)12-11(15-17-16-12)9-3-1-2-4-10(9)23(20,21)18-5-7-22-8-6-18/h1-4H,5-8H2,(H2,14,19)(H,15,16,17)
InChIKeyIMPLHLPBSBBPOO-UHFFFAOYSA-N
XLogP-0.41
TPSA131.27 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 ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(oxan-4-yloxy)phenyl]-2H-triazole-4-carboxamide
CID 169404622
3-(2-morpholin-4-ylsulfonylphenyl)aniline
CID 66864744
2-morpholin-4-ylsulfonylphenol
CID 79020270
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-amino-3-morpholin-4-ylsulfonylbenzoic acid
CID 155339937
2-amino-6-morpholin-4-ylsulfonylphenol
CID 59675783
5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
CID 169402107
(2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402696
2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide
CID 171989528
N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119407704

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide (CID 169404669) is 5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is IMPLHLPBSBBPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4S/c14-13(19)12-11(15-17-16-12)9-3-1-2-4-10(9)23(20,21)18-5-7-22-8-6-18/h1-4H,5-8H2,(H2,14,19)(H,15,16,17).
What are the key properties of 5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide?
5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 337.36 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).