N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C13H15F2N3O2S — CID 154837399

IUPACN-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C13H15F2N3O2S/c1-8-13(9(2)18(3)17-8)21(19,20)16-7-10-4-11(14)6-12(15)5-10/h4-6,16H,7H2,1-3H3
InChIKeyKENUMTUVBGCTBQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.79
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 154837399) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID154837399
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C13H15F2N3O2S/c1-8-13(9(2)18(3)17-8)21(19,20)16-7-10-4-11(14)6-12(15)5-10/h4-6,16H,7H2,1-3H3
InChIKeyKENUMTUVBGCTBQ-UHFFFAOYSA-N
XLogP1.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 22209348
N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5156843
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3326283
N-[[4-(furan-3-yl)phenyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 126851040
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22771313
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 79523965
N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 107334292
N-[(3,5-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176210
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71808656
5-chloro-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3689918
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 154837399) is N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is KENUMTUVBGCTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-8-13(9(2)18(3)17-8)21(19,20)16-7-10-4-11(14)6-12(15)5-10/h4-6,16H,7H2,1-3H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 154837399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).