1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide

C16H15F2N3O2S2 — CID 71797439

IUPAC1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2cc(F)ccc2F)cc1-c1cccs1
InChIInChI=1S/C16H15F2N3O2S2/c1-21-15(16-3-2-6-24-16)8-13(20-21)9-19-25(22,23)10-11-7-12(17)4-5-14(11)18/h2-8,19H,9-10H2,1H3
InChIKeyKHBDRAAHDKMVGD-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.05
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide (PubChem CID 71797439) has the molecular formula C16H15F2N3O2S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide
PubChem CID71797439
Molecular FormulaC16H15F2N3O2S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Name1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2cc(F)ccc2F)cc1-c1cccs1
InChIInChI=1S/C16H15F2N3O2S2/c1-21-15(16-3-2-6-24-16)8-13(20-21)9-19-25(22,23)10-11-7-12(17)4-5-14(11)18/h2-8,19H,9-10H2,1H3
InChIKeyKHBDRAAHDKMVGD-UHFFFAOYSA-N
XLogP3.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide (CID 71797439) is 1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide is Cn1nc(CNS(=O)(=O)Cc2cc(F)ccc2F)cc1-c1cccs1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
The InChIKey is KHBDRAAHDKMVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2S2/c1-21-15(16-3-2-6-24-16)8-13(20-21)9-19-25(22,23)10-11-7-12(17)4-5-14(11)18/h2-8,19H,9-10H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide has a molecular weight of 383.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 71797439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).