N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H11F2N3O2S — CID 3636535

IUPACN-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-8-3-4-9(12)10(13)5-8/h3-5,16H,1-2H3,(H,14,15)
InChIKeyDPSQSJVLYTYKBA-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.11
Rot. Bonds3

About N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 3636535) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID3636535
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC NameN-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-8-3-4-9(12)10(13)5-8/h3-5,16H,1-2H3,(H,14,15)
InChIKeyDPSQSJVLYTYKBA-UHFFFAOYSA-N
XLogP2.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 683290
3,5-dimethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 866901
3,5-Dimethyl-1-(phenylsulfonyl)-1H-pyrazole
CID 757430
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 6602881
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3237078
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4151083
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3291773
N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4250803
N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 5047360
3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 5201558
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 3590537

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 3636535) is N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DPSQSJVLYTYKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-6-11(7(2)15-14-6)19(17,18)16-8-3-4-9(12)10(13)5-8/h3-5,16H,1-2H3,(H,14,15).
What are the key properties of N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 287.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 3636535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).