1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride

C16H22Cl2N4O3S — CID 119968792

IUPAC1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCOc1ccc(Cl)cc1-n1cc(S(=O)(=O)NCC2CCCNC2)cn1.Cl
InChIInChI=1S/C16H21ClN4O3S.ClH/c1-24-16-5-4-13(17)7-15(16)21-11-14(10-19-21)25(22,23)20-9-12-3-2-6-18-8-12;/h4-5,7,10-12,18,20H,2-3,6,8-9H2,1H3;1H
InChIKeyNOGSFXRPZSVSLS-UHFFFAOYSA-N
MW421.35 g/mol
LogP2.23
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride

1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 119968792) has the molecular formula C16H22Cl2N4O3S and a molecular weight of 421.35 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID119968792
Molecular FormulaC16H22Cl2N4O3S
Molecular Weight421.35 g/mol
Exact Mass420.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCOc1ccc(Cl)cc1-n1cc(S(=O)(=O)NCC2CCCNC2)cn1.Cl
InChIInChI=1S/C16H21ClN4O3S.ClH/c1-24-16-5-4-13(17)7-15(16)21-11-14(10-19-21)25(22,23)20-9-12-3-2-6-18-8-12;/h4-5,7,10-12,18,20H,2-3,6,8-9H2,1H3;1H
InChIKeyNOGSFXRPZSVSLS-UHFFFAOYSA-N
XLogP2.23
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119977433
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119968782
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate
CID 119968783
5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120893998
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968701
1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119979713
2-bromo-5-chloro-4-methoxy-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124686383
5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119968668
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
4-bromo-2,5-dimethoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120707894
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride (CID 119968792) is 1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride is COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NCC2CCCNC2)cn1.Cl.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is NOGSFXRPZSVSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3S.ClH/c1-24-16-5-4-13(17)7-15(16)21-11-14(10-19-21)25(22,23)20-9-12-3-2-6-18-8-12;/h4-5,7,10-12,18,20H,2-3,6,8-9H2,1H3;1H.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride?
1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 421.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119968792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).