1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide

C19H27N5O3S — CID 146088384

IUPAC1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide
SMILESCC(C)c1n[nH]c(C(C)NS(=O)(=O)C2CCCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C19H27N5O3S/c1-13(2)17-20-18(22-21-17)14(3)23-28(26,27)16-10-7-11-24(12-16)19(25)15-8-5-4-6-9-15/h4-6,8-9,13-14,16,23H,7,10-12H2,1-3H3,(H,20,21,22)
InChIKeyPKPODFNAMMFCHG-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.21
Rot. Bonds6

About 1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide

1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide (PubChem CID 146088384) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide
PubChem CID146088384
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide
SMILESCC(C)c1n[nH]c(C(C)NS(=O)(=O)C2CCCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C19H27N5O3S/c1-13(2)17-20-18(22-21-17)14(3)23-28(26,27)16-10-7-11-24(12-16)19(25)15-8-5-4-6-9-15/h4-6,8-9,13-14,16,23H,7,10-12H2,1-3H3,(H,20,21,22)
InChIKeyPKPODFNAMMFCHG-UHFFFAOYSA-N
XLogP2.21
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide with MolForge

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Related Compounds

1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
(3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97344312
N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide
CID 75476106
1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
CID 75474412
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
(3R)-1-(4-methylsulfanylbenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 97085195
1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide
CID 75474607
N-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
CID 109060714
2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 75474373
4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one
CID 75474370

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide?
The IUPAC name of 1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide (CID 146088384) is 1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide.
What is the SMILES notation for 1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide?
The canonical SMILES for 1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide is CC(C)c1n[nH]c(C(C)NS(=O)(=O)C2CCCN(C(=O)c3ccccc3)C2)n1.
What is the InChIKey of 1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide?
The InChIKey is PKPODFNAMMFCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-13(2)17-20-18(22-21-17)14(3)23-28(26,27)16-10-7-11-24(12-16)19(25)15-8-5-4-6-9-15/h4-6,8-9,13-14,16,23H,7,10-12H2,1-3H3,(H,20,21,22).
What are the key properties of 1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide?
1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide has a molecular weight of 405.52 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide is sourced from PubChem (CID 146088384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).