2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C12H13F2N3O2S — CID 3775268

IUPAC2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2N3O2S/c1-7-12(8(2)17(3)15-7)16-20(18,19)11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3
InChIKeyBHITVKNQGWPCEE-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.12
Rot. Bonds3

About 2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3775268) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3775268
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2N3O2S/c1-7-12(8(2)17(3)15-7)16-20(18,19)11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3
InChIKeyBHITVKNQGWPCEE-UHFFFAOYSA-N
XLogP2.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561188
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202918
4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561076
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202286
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202376
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 5237791
N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide
CID 22209237
2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3673892
2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 22203631
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3775268) is 2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is BHITVKNQGWPCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c1-7-12(8(2)17(3)15-7)16-20(18,19)11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3.
What are the key properties of 2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 301.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3775268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).