1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide

C10H16F2N4O2S — CID 120709011

IUPAC1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N4O2S/c11-10(12)7-16-6-9(5-14-16)19(17,18)15-4-8-2-1-3-13-8/h5-6,8,10,13,15H,1-4,7H2
InChIKeyCCESXPDXUGAPCH-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.18
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide

1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 120709011) has the molecular formula C10H16F2N4O2S and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID120709011
Molecular FormulaC10H16F2N4O2S
Molecular Weight294.33 g/mol
Exact Mass294.10
IUPAC Name1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N4O2S/c11-10(12)7-16-6-9(5-14-16)19(17,18)15-4-8-2-1-3-13-8/h5-6,8,10,13,15H,1-4,7H2
InChIKeyCCESXPDXUGAPCH-UHFFFAOYSA-N
XLogP0.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.18
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
1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 119974341
1-(2,2-difluoroethyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrazole-4-sulfonamide
CID 126785616
1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707652
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide
CID 119792885
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
CID 114794170
N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120711102
1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
CID 120896419
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 62541638
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
4-(difluoromethoxy)-3-fluoro-N-[[(2S)-piperidin-2-yl]methyl]benzenesulfonamide
CID 124741535

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide (CID 120709011) is 1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide is O=S(=O)(NCC1CCCN1)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is CCESXPDXUGAPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2S/c11-10(12)7-16-6-9(5-14-16)19(17,18)15-4-8-2-1-3-13-8/h5-6,8,10,13,15H,1-4,7H2.
What are the key properties of 1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide?
1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of 0.18, 6 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-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 120709011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).