1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide

C14H17F2N3O2S — CID 71796840

IUPAC1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C14H17F2N3O2S/c1-10-7-11(2)19(18-10)6-5-17-22(20,21)9-12-8-13(15)3-4-14(12)16/h3-4,7-8,17H,5-6,9H2,1-2H3
InChIKeyHXBVEQZXQKZNKB-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.90
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide (PubChem CID 71796840) has the molecular formula C14H17F2N3O2S and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide
PubChem CID71796840
Molecular FormulaC14H17F2N3O2S
Molecular Weight329.37 g/mol
Exact Mass329.10
IUPAC Name1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C14H17F2N3O2S/c1-10-7-11(2)19(18-10)6-5-17-22(20,21)9-12-8-13(15)3-4-14(12)16/h3-4,7-8,17H,5-6,9H2,1-2H3
InChIKeyHXBVEQZXQKZNKB-UHFFFAOYSA-N
XLogP1.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
(1S,3R)-N-((5-(3,5-difluorophenyl)-4-methyl-1-(2-(methylsulfonyl)ethyl)-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45267506
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzenesulfonamide
CID 6499781
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
(S)-N-(5-((1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
CID 44555671
N-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-benzenesulfonamide
CID 1078658
4-Methyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 1078661
US9656955, Example 508
CID 90406800

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide (CID 71796840) is 1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide is Cc1cc(C)n(CCNS(=O)(=O)Cc2cc(F)ccc2F)n1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is HXBVEQZXQKZNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2S/c1-10-7-11(2)19(18-10)6-5-17-22(20,21)9-12-8-13(15)3-4-14(12)16/h3-4,7-8,17H,5-6,9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 329.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 71796840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).