1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide

C14H24F2N4O3S — CID 46972273

IUPAC1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)C1
InChIInChI=1S/C14H24F2N4O3S/c1-10-13(11(2)20(18-10)14(15)16)24(21,22)17-8-12-4-5-19(9-12)6-7-23-3/h12,14,17H,4-9H2,1-3H3
InChIKeyOBDQEQAVULFXEX-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.14
Rot. Bonds8

About 1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 46972273) has the molecular formula C14H24F2N4O3S and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID46972273
Molecular FormulaC14H24F2N4O3S
Molecular Weight366.43 g/mol
Exact Mass366.15
IUPAC Name1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)C1
InChIInChI=1S/C14H24F2N4O3S/c1-10-13(11(2)20(18-10)14(15)16)24(21,22)17-8-12-4-5-19(9-12)6-7-23-3/h12,14,17H,4-9H2,1-3H3
InChIKeyOBDQEQAVULFXEX-UHFFFAOYSA-N
XLogP1.14
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide (CID 46972273) is 1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide is COCCN1CCC(CNS(=O)(=O)c2c(C)nn(C(F)F)c2C)C1.
What is the InChIKey of 1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is OBDQEQAVULFXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N4O3S/c1-10-13(11(2)20(18-10)14(15)16)24(21,22)17-8-12-4-5-19(9-12)6-7-23-3/h12,14,17H,4-9H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 366.43 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 46972273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).