1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride

C16H23ClN4O3S — CID 119977433

IUPAC1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCOc1ccccc1-n1cc(S(=O)(=O)NCCC2CCNC2)cn1.Cl
InChIInChI=1S/C16H22N4O3S.ClH/c1-23-16-5-3-2-4-15(16)20-12-14(11-18-20)24(21,22)19-9-7-13-6-8-17-10-13;/h2-5,11-13,17,19H,6-10H2,1H3;1H
InChIKeyGMWPAQQIHQSKGP-UHFFFAOYSA-N
MW386.91 g/mol
LogP1.58
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride

1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 119977433) has the molecular formula C16H23ClN4O3S and a molecular weight of 386.91 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID119977433
Molecular FormulaC16H23ClN4O3S
Molecular Weight386.91 g/mol
Exact Mass386.12
IUPAC Name1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCOc1ccccc1-n1cc(S(=O)(=O)NCCC2CCNC2)cn1.Cl
InChIInChI=1S/C16H22N4O3S.ClH/c1-23-16-5-3-2-4-15(16)20-12-14(11-18-20)24(21,22)19-9-7-13-6-8-17-10-13;/h2-5,11-13,17,19H,6-10H2,1H3;1H
InChIKeyGMWPAQQIHQSKGP-UHFFFAOYSA-N
XLogP1.58
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119979713
N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide
CID 120583442
1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119968792
4-bromo-3-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977366
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride
CID 120585040
1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
CID 119994189
1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978577
methyl 2-(2-pyrrolidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119977382
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63624523
N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride (CID 119977433) is 1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride is COc1ccccc1-n1cc(S(=O)(=O)NCCC2CCNC2)cn1.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is GMWPAQQIHQSKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S.ClH/c1-23-16-5-3-2-4-15(16)20-12-14(11-18-20)24(21,22)19-9-7-13-6-8-17-10-13;/h2-5,11-13,17,19H,6-10H2,1H3;1H.
What are the key properties of 1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride?
1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 386.91 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119977433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).