N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C13H15F2N3O2S — CID 52783463

IUPACN-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3O2S/c1-3-18(9-10-7-16-17(2)8-10)21(19,20)13-5-4-11(14)6-12(13)15/h4-8H,3,9H2,1-2H3
InChIKeyODBVPCFEQBGLIS-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.91
Rot. Bonds5

About N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 52783463) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID52783463
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC NameN-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3O2S/c1-3-18(9-10-7-16-17(2)8-10)21(19,20)13-5-4-11(14)6-12(13)15/h4-8H,3,9H2,1-2H3
InChIKeyODBVPCFEQBGLIS-UHFFFAOYSA-N
XLogP1.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 52783463) is N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is ODBVPCFEQBGLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-3-18(9-10-7-16-17(2)8-10)21(19,20)13-5-4-11(14)6-12(13)15/h4-8H,3,9H2,1-2H3.
What are the key properties of N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 52783463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).