N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide

C11H11F2N3O2S — CID 17283239

IUPACN-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3O2S/c1-7-10(6-16(2)14-7)15-19(17,18)11-5-8(12)3-4-9(11)13/h3-6,15H,1-2H3
InChIKeyOVWWSUYWXPIPKU-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.81
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide

N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 17283239) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
PubChem CID17283239
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3O2S/c1-7-10(6-16(2)14-7)15-19(17,18)11-5-8(12)3-4-9(11)13/h3-6,15H,1-2H3
InChIKeyOVWWSUYWXPIPKU-UHFFFAOYSA-N
XLogP1.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.81
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
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-(2-bromophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6467434
4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methylamino]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 155531889
N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 804168
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
N-(3-chlorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508670
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide (CID 17283239) is N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is OVWWSUYWXPIPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-7-10(6-16(2)14-7)15-19(17,18)11-5-8(12)3-4-9(11)13/h3-6,15H,1-2H3.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide?
N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 287.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 17283239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).