2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C20H18FN5O2S2 — CID 87146075

IUPAC2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(Nc2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)n(-c2ccccc2C)n1
InChIInChI=1S/C20H18FN5O2S2/c1-13-5-3-4-6-17(13)26-19(11-14(2)24-26)23-15-7-8-18(16(21)12-15)30(27,28)25-20-22-9-10-29-20/h3-12,23H,1-2H3,(H,22,25)
InChIKeyVAQYEHCGJSZQFW-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.63
Rot. Bonds6

About 2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 87146075) has the molecular formula C20H18FN5O2S2 and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID87146075
Molecular FormulaC20H18FN5O2S2
Molecular Weight443.53 g/mol
Exact Mass443.09
IUPAC Name2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(Nc2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)n(-c2ccccc2C)n1
InChIInChI=1S/C20H18FN5O2S2/c1-13-5-3-4-6-17(13)26-19(11-14(2)24-26)23-15-7-8-18(16(21)12-15)30(27,28)25-20-22-9-10-29-20/h3-12,23H,1-2H3,(H,22,25)
InChIKeyVAQYEHCGJSZQFW-UHFFFAOYSA-N
XLogP4.63
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-4-[[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87145437
4-[[3-tert-butyl-1-(2-methoxyphenyl)pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87145677
2-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzenesulfonamide
CID 66775999
4-[[1-tert-butyl-3-[(4-methylphenyl)methyl]pyrazol-5-yl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87145592
4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25138353
N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 87538093
4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 91239186
4-[3,4-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90885323
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
2-(methylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55044038
2,6-difluoro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585256
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 71972231

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 87146075) is 2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1cc(Nc2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)n(-c2ccccc2C)n1.
What is the InChIKey of 2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VAQYEHCGJSZQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S2/c1-13-5-3-4-6-17(13)26-19(11-14(2)24-26)23-15-7-8-18(16(21)12-15)30(27,28)25-20-22-9-10-29-20/h3-12,23H,1-2H3,(H,22,25).
What are the key properties of 2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 443.53 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 87146075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).