1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride

C9H15ClF2N4O2S — CID 120707652

IUPAC1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1cnn(CC(F)F)c1
InChIInChI=1S/C9H14F2N4O2S.ClH/c10-9(11)6-15-5-8(4-13-15)18(16,17)14-7-1-2-12-3-7;/h4-5,7,9,12,14H,1-3,6H2;1H
InChIKeyVXNANZVMDCLDON-UHFFFAOYSA-N
MW316.76 g/mol
LogP0.21
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride

1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 120707652) has the molecular formula C9H15ClF2N4O2S and a molecular weight of 316.76 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
PubChem CID120707652
Molecular FormulaC9H15ClF2N4O2S
Molecular Weight316.76 g/mol
Exact Mass316.06
IUPAC Name1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1cnn(CC(F)F)c1
InChIInChI=1S/C9H14F2N4O2S.ClH/c10-9(11)6-15-5-8(4-13-15)18(16,17)14-7-1-2-12-3-7;/h4-5,7,9,12,14H,1-3,6H2;1H
InChIKeyVXNANZVMDCLDON-UHFFFAOYSA-N
XLogP0.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-difluoroethyl)-N-piperidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707191
N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120707592
N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120711102
1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 120709011
4-(difluoromethoxy)-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120874646
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588
N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide
CID 130747992
1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
CID 120896419
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
1-(2,2-difluoroethyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrazole-4-sulfonamide
CID 126785616
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride (CID 120707652) is 1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNC1)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is VXNANZVMDCLDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2S.ClH/c10-9(11)6-15-5-8(4-13-15)18(16,17)14-7-1-2-12-3-7;/h4-5,7,9,12,14H,1-3,6H2;1H.
What are the key properties of 1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride?
1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 316.76 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120707652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).