N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide

C13H15F2N3O2S — CID 139003889

IUPACN-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)N(C)c2cc(F)ccc2F)cn1
InChIInChI=1S/C13H15F2N3O2S/c1-9(2)18-8-11(7-16-18)21(19,20)17(3)13-6-10(14)4-5-12(13)15/h4-9H,1-3H3
InChIKeyQFMVTOIKWYFCHW-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.57
Rot. Bonds4

About N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide

N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 139003889) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID139003889
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC NameN-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)N(C)c2cc(F)ccc2F)cn1
InChIInChI=1S/C13H15F2N3O2S/c1-9(2)18-8-11(7-16-18)21(19,20)17(3)13-6-10(14)4-5-12(13)15/h4-9H,1-3H3
InChIKeyQFMVTOIKWYFCHW-UHFFFAOYSA-N
XLogP2.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 139003889) is N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)N(C)c2cc(F)ccc2F)cn1.
What is the InChIKey of N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is QFMVTOIKWYFCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-9(2)18-8-11(7-16-18)21(19,20)17(3)13-6-10(14)4-5-12(13)15/h4-9H,1-3H3.
What are the key properties of N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 139003889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).