1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide

C14H17F2N3O2S — CID 19582057

IUPAC1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H17F2N3O2S/c1-9(12-7-5-4-6-8-12)18-22(20,21)13-10(2)17-19(11(13)3)14(15)16/h4-9,14,18H,1-3H3
InChIKeyHOHZOXGQSWSXHL-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.93
Rot. Bonds5

About 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide

1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 19582057) has the molecular formula C14H17F2N3O2S and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide
PubChem CID19582057
Molecular FormulaC14H17F2N3O2S
Molecular Weight329.37 g/mol
Exact Mass329.10
IUPAC Name1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H17F2N3O2S/c1-9(12-7-5-4-6-8-12)18-22(20,21)13-10(2)17-19(11(13)3)14(15)16/h4-9,14,18H,1-3H3
InChIKeyHOHZOXGQSWSXHL-UHFFFAOYSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.93
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
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
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
N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
(1S,3R)-N-((5-(3,5-difluorophenyl)-4-methyl-1-(2-(methylsulfonyl)ethyl)-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45267506
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 895190

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide (CID 19582057) is 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide is Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC(C)c1ccccc1.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is HOHZOXGQSWSXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2S/c1-9(12-7-5-4-6-8-12)18-22(20,21)13-10(2)17-19(11(13)3)14(15)16/h4-9,14,18H,1-3H3.
What are the key properties of 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide?
1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 329.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethyl-N-(1-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19582057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).