N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide

C12H14FN3O2S — CID 22203197

IUPACN-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C12H14FN3O2S/c1-8-6-10(13)4-5-11(8)15-19(17,18)12-7-14-16(3)9(12)2/h4-7,15H,1-3H3
InChIKeyOLNLIHAIOVYUGD-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.98
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide

N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 22203197) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID22203197
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC NameN-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C12H14FN3O2S/c1-8-6-10(13)4-5-11(8)15-19(17,18)12-7-14-16(3)9(12)2/h4-7,15H,1-3H3
InChIKeyOLNLIHAIOVYUGD-UHFFFAOYSA-N
XLogP1.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775093
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
CID 22209133
2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 55044474
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144203
N-(4-fluoro-2-methylphenyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292577
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 22203197) is N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1cnn(C)c1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is OLNLIHAIOVYUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-8-6-10(13)4-5-11(8)15-19(17,18)12-7-14-16(3)9(12)2/h4-7,15H,1-3H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22203197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).