N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide

C12H13F2N3O2S — CID 22209239

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(F)ccc2F)c(C)n1
InChIInChI=1S/C12H13F2N3O2S/c1-3-17-7-11(8(2)15-17)16-20(18,19)12-6-9(13)4-5-10(12)14/h4-7,16H,3H2,1-2H3
InChIKeyVCOWMSQMWNDBHN-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.29
Rot. Bonds4

About N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide

N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 22209239) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
PubChem CID22209239
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(F)ccc2F)c(C)n1
InChIInChI=1S/C12H13F2N3O2S/c1-3-17-7-11(8(2)15-17)16-20(18,19)12-6-9(13)4-5-10(12)14/h4-7,16H,3H2,1-2H3
InChIKeyVCOWMSQMWNDBHN-UHFFFAOYSA-N
XLogP2.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide
CID 22209237
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622209
N-(3,4-difluorophenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773467
N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622365
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622212
N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 56653051
N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 22209225
N-(1-ethyl-3-methylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22209256
4-ethoxy-N-(1-ethyl-3-methylpyrazol-4-yl)benzenesulfonamide
CID 22209222
N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774656
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide (CID 22209239) is N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2cc(F)ccc2F)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is VCOWMSQMWNDBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c1-3-17-7-11(8(2)15-17)16-20(18,19)12-6-9(13)4-5-10(12)14/h4-7,16H,3H2,1-2H3.
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 301.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22209239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).