3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide

C15H27F2N3O2S — CID 166272537

IUPAC3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)CC(C)(C)C(C)(F)F)c1ccnn1C
InChIInChI=1S/C15H27F2N3O2S/c1-11(2)12(13-7-8-18-20(13)6)9-19-23(21,22)10-14(3,4)15(5,16)17/h7-8,11-12,19H,9-10H2,1-6H3
InChIKeyFQDZTRONLVIYFL-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.76
Rot. Bonds8

About 3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide

3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide (PubChem CID 166272537) has the molecular formula C15H27F2N3O2S and a molecular weight of 351.46 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide
PubChem CID166272537
Molecular FormulaC15H27F2N3O2S
Molecular Weight351.46 g/mol
Exact Mass351.18
IUPAC Name3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)CC(C)(C)C(C)(F)F)c1ccnn1C
InChIInChI=1S/C15H27F2N3O2S/c1-11(2)12(13-7-8-18-20(13)6)9-19-23(21,22)10-14(3,4)15(5,16)17/h7-8,11-12,19H,9-10H2,1-6H3
InChIKeyFQDZTRONLVIYFL-UHFFFAOYSA-N
XLogP2.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide?
The IUPAC name of 3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide (CID 166272537) is 3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide?
The canonical SMILES for 3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide is CC(C)C(CNS(=O)(=O)CC(C)(C)C(C)(F)F)c1ccnn1C.
What is the InChIKey of 3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide?
The InChIKey is FQDZTRONLVIYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O2S/c1-11(2)12(13-7-8-18-20(13)6)9-19-23(21,22)10-14(3,4)15(5,16)17/h7-8,11-12,19H,9-10H2,1-6H3.
What are the key properties of 3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide?
3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide has a molecular weight of 351.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide is sourced from PubChem (CID 166272537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).