N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide

C15H21N5O2S — CID 166236847

IUPACN-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
SMILESCc1nc(C2CCN(CCNS(=O)(=O)c3ccccc3)C2)n[nH]1
InChIInChI=1S/C15H21N5O2S/c1-12-17-15(19-18-12)13-7-9-20(11-13)10-8-16-23(21,22)14-5-3-2-4-6-14/h2-6,13,16H,7-11H2,1H3,(H,17,18,19)
InChIKeyYCZLCPWCQUCGOF-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.88
Rot. Bonds6

About N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide

N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 166236847) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
PubChem CID166236847
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
SMILESCc1nc(C2CCN(CCNS(=O)(=O)c3ccccc3)C2)n[nH]1
InChIInChI=1S/C15H21N5O2S/c1-12-17-15(19-18-12)13-7-9-20(11-13)10-8-16-23(21,22)14-5-3-2-4-6-14/h2-6,13,16H,7-11H2,1H3,(H,17,18,19)
InChIKeyYCZLCPWCQUCGOF-UHFFFAOYSA-N
XLogP0.88
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide with MolForge

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Related Compounds

1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 124750539
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 167960205
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
CID 35391328
N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
CID 96542307
N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978974
4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 47206414
N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978969
4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 90522732
4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74231613
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
CID 129279668

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide (CID 166236847) is N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide is Cc1nc(C2CCN(CCNS(=O)(=O)c3ccccc3)C2)n[nH]1.
What is the InChIKey of N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is YCZLCPWCQUCGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-12-17-15(19-18-12)13-7-9-20(11-13)10-8-16-23(21,22)14-5-3-2-4-6-14/h2-6,13,16H,7-11H2,1H3,(H,17,18,19).
What are the key properties of N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 166236847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).