1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride

C15H21ClN6O3S — CID 120731043

IUPAC1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCC(=O)N2CCNCC2c2cccnc2)cn1
InChIInChI=1S/C15H20N6O3S.ClH/c1-20-11-13(8-18-20)25(23,24)19-10-15(22)21-6-5-17-9-14(21)12-3-2-4-16-7-12;/h2-4,7-8,11,14,17,19H,5-6,9-10H2,1H3;1H
InChIKeyOVNVQQPMSNKVJE-UHFFFAOYSA-N
MW400.89 g/mol
LogP-0.31
Rot. Bonds5

About 1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride

1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120731043) has the molecular formula C15H21ClN6O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride
PubChem CID120731043
Molecular FormulaC15H21ClN6O3S
Molecular Weight400.89 g/mol
Exact Mass400.11
IUPAC Name1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCC(=O)N2CCNCC2c2cccnc2)cn1
InChIInChI=1S/C15H20N6O3S.ClH/c1-20-11-13(8-18-20)25(23,24)19-10-15(22)21-6-5-17-9-14(21)12-3-2-4-16-7-12;/h2-4,7-8,11,14,17,19H,5-6,9-10H2,1H3;1H
InChIKeyOVNVQQPMSNKVJE-UHFFFAOYSA-N
XLogP-0.31
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide
CID 120734272
4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 120731688
N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145
2-propan-2-ylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730025
N-methyl-4-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide;hydrochloride
CID 120729176
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
CID 120731433
2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide
CID 120731406
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
3-(4-methylphenyl)sulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731732
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-pentylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731933

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride (CID 120731043) is 1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)NCC(=O)N2CCNCC2c2cccnc2)cn1.
What is the InChIKey of 1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is OVNVQQPMSNKVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S.ClH/c1-20-11-13(8-18-20)25(23,24)19-10-15(22)21-6-5-17-9-14(21)12-3-2-4-16-7-12;/h2-4,7-8,11,14,17,19H,5-6,9-10H2,1H3;1H.
What are the key properties of 1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride?
1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 400.89 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120731043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).