1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide

C13H22F2N4O3S — CID 120896419

IUPAC1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
SMILESCOCC1(CNS(=O)(=O)c2cnn(CC(F)F)c2)CCNCC1
InChIInChI=1S/C13H22F2N4O3S/c1-22-10-13(2-4-16-5-3-13)9-18-23(20,21)11-6-17-19(7-11)8-12(14)15/h6-7,12,16,18H,2-5,8-10H2,1H3
InChIKeyDQKVFVLYJDZVQC-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.44
Rot. Bonds8

About 1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide

1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide (PubChem CID 120896419) has the molecular formula C13H22F2N4O3S and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
PubChem CID120896419
Molecular FormulaC13H22F2N4O3S
Molecular Weight352.41 g/mol
Exact Mass352.14
IUPAC Name1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
SMILESCOCC1(CNS(=O)(=O)c2cnn(CC(F)F)c2)CCNCC1
InChIInChI=1S/C13H22F2N4O3S/c1-22-10-13(2-4-16-5-3-13)9-18-23(20,21)11-6-17-19(7-11)8-12(14)15/h6-7,12,16,18H,2-5,8-10H2,1H3
InChIKeyDQKVFVLYJDZVQC-UHFFFAOYSA-N
XLogP0.44
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride
CID 120896266
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 120896574
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-sulfonamide;hydrochloride
CID 120896584
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 120709011
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120896176
1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707652
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 120896389

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide (CID 120896419) is 1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide is COCC1(CNS(=O)(=O)c2cnn(CC(F)F)c2)CCNCC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide?
The InChIKey is DQKVFVLYJDZVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O3S/c1-22-10-13(2-4-16-5-3-13)9-18-23(20,21)11-6-17-19(7-11)8-12(14)15/h6-7,12,16,18H,2-5,8-10H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide?
1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide has a molecular weight of 352.41 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 120896419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).