N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride

C9H17ClN4O2S — CID 120709852

IUPACN,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1ccnn1C.Cl
InChIInChI=1S/C9H16N4O2S.ClH/c1-12-9(4-6-11-12)16(14,15)13(2)8-3-5-10-7-8;/h4,6,8,10H,3,5,7H2,1-2H3;1H
InChIKeyICMWKWMUEUQHMD-UHFFFAOYSA-N
MW280.78 g/mol
LogP-0.18
Rot. Bonds3

About N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride

N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride (PubChem CID 120709852) has the molecular formula C9H17ClN4O2S and a molecular weight of 280.78 g/mol. Its IUPAC name is N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride
PubChem CID120709852
Molecular FormulaC9H17ClN4O2S
Molecular Weight280.78 g/mol
Exact Mass280.08
IUPAC NameN,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1ccnn1C.Cl
InChIInChI=1S/C9H16N4O2S.ClH/c1-12-9(4-6-11-12)16(14,15)13(2)8-3-5-10-7-8;/h4,6,8,10H,3,5,7H2,1-2H3;1H
InChIKeyICMWKWMUEUQHMD-UHFFFAOYSA-N
XLogP-0.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide
CID 104709475
2-[(2-methylpyrazol-3-yl)sulfonyl-piperidin-3-ylamino]acetamide
CID 104709486
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 106630912
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
N-methyl-N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 63297947
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 119979118
4-bromo-2,3-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709932
2-methyl-N-(1-pyrrolidin-3-ylethyl)pyrazole-3-sulfonamide
CID 104709488
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978600

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride?
The IUPAC name of N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride (CID 120709852) is N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride is CN(C1CCNC1)S(=O)(=O)c1ccnn1C.Cl.
What is the InChIKey of N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride?
The InChIKey is ICMWKWMUEUQHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S.ClH/c1-12-9(4-6-11-12)16(14,15)13(2)8-3-5-10-7-8;/h4,6,8,10H,3,5,7H2,1-2H3;1H.
What are the key properties of N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride?
N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride has a molecular weight of 280.78 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120709852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).