N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide

C15H19N5O3S — CID 2927218

IUPACN-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C15H19N5O3S/c1-11-4-2-3-9-20(11)24(22,23)13-7-5-12(6-8-13)18-15(21)14-16-10-17-19-14/h5-8,10-11H,2-4,9H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyHYLGAWGZEGUDCE-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.62
Rot. Bonds4

About N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide

N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 2927218) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID2927218
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C15H19N5O3S/c1-11-4-2-3-9-20(11)24(22,23)13-7-5-12(6-8-13)18-15(21)14-16-10-17-19-14/h5-8,10-11H,2-4,9H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyHYLGAWGZEGUDCE-UHFFFAOYSA-N
XLogP1.62
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide
CID 4839349
N-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 2973846
N-[3-(Methylsulfanyl)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 596956
N-[4-(diethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 779761
N-[4-(dimethylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 9179281
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 9179282
N-(4-(N-(1-(1H-1,2,4-triazol-1-yl)propan-2-yl)sulfamoyl)phenyl)acetamide
CID 15943545
N-(4-{[(tert-butyl)amino]sulfonyl}phenyl)-2-(1,2,4-triazolyl)acetamide
CID 19164234
N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide
CID 75517794
N-[4-(1-piperidinyl)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 2915286
N-{4-[(1H-1,2,4-triazol-3-ylamino)sulfonyl]phenyl}acetamide
CID 4256602
N-phenyl-1H-1,2,4-triazole-5-carboxamide
CID 5166298

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide (CID 2927218) is N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide is CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ncn[nH]2)cc1.
What is the InChIKey of N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HYLGAWGZEGUDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-11-4-2-3-9-20(11)24(22,23)13-7-5-12(6-8-13)18-15(21)14-16-10-17-19-14/h5-8,10-11H,2-4,9H2,1H3,(H,18,21)(H,16,17,19).
What are the key properties of N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 2927218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).