N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride

C14H19ClN4O2S — CID 119979118

IUPACN-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C14H18N4O2S.ClH/c1-17(13-7-8-15-9-13)21(19,20)14-10-16-18(11-14)12-5-3-2-4-6-12;/h2-6,10-11,13,15H,7-9H2,1H3;1H
InChIKeyYDICMTVIXBKWFT-UHFFFAOYSA-N
MW342.85 g/mol
LogP1.28
Rot. Bonds4

About N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride

N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 119979118) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
PubChem CID119979118
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC NameN-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C14H18N4O2S.ClH/c1-17(13-7-8-15-9-13)21(19,20)14-10-16-18(11-14)12-5-3-2-4-6-12;/h2-6,10-11,13,15H,7-9H2,1H3;1H
InChIKeyYDICMTVIXBKWFT-UHFFFAOYSA-N
XLogP1.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 119978930
N-methyl-N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 63297947
N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
CID 81471251
N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 120709860
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 44592154
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride
CID 120709852
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119979713
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide
CID 47092048

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride (CID 119979118) is N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride is CN(C1CCNC1)S(=O)(=O)c1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is YDICMTVIXBKWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S.ClH/c1-17(13-7-8-15-9-13)21(19,20)14-10-16-18(11-14)12-5-3-2-4-6-12;/h2-6,10-11,13,15H,7-9H2,1H3;1H.
What are the key properties of N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride?
N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 342.85 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119979118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).