N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide

C22H16F4N4O2S — CID 44622209

IUPACN-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C22H16F4N4O2S/c1-2-30-12-15(13-7-9-27-10-8-13)22(28-30)20-17(25)5-6-18(21(20)26)29-33(31,32)19-11-14(23)3-4-16(19)24/h3-12,29H,2H2,1H3
InChIKeyGDMUNKBRWNCHTD-UHFFFAOYSA-N
MW476.46 g/mol
LogP4.99
Rot. Bonds6

About N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide

N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 44622209) has the molecular formula C22H16F4N4O2S and a molecular weight of 476.46 g/mol. Its IUPAC name is N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
PubChem CID44622209
Molecular FormulaC22H16F4N4O2S
Molecular Weight476.46 g/mol
Exact Mass476.09
IUPAC NameN-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C22H16F4N4O2S/c1-2-30-12-15(13-7-9-27-10-8-13)22(28-30)20-17(25)5-6-18(21(20)26)29-33(31,32)19-11-14(23)3-4-16(19)24/h3-12,29H,2H2,1H3
InChIKeyGDMUNKBRWNCHTD-UHFFFAOYSA-N
XLogP4.99
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622365
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622212
N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide
CID 53341262
N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 56653051
4-[3-[2-(2,5-difluorophenyl)sulfonyl-6-methylphenyl]-1-ethylpyrazol-4-yl]pyridine
CID 71071040
N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
CID 22209239
[N-(2,5-difluorophenyl)sulfonyl-3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluoroanilino]methyl 2-(dimethylamino)acetate
CID 53341431
(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-4-fluoro-2-propan-2-ylphenyl]carbamic acid
CID 71269963
(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid
CID 71071039
(2,5-difluorophenyl)sulfonyl-[2-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-4-fluorophenyl]carbamic acid
CID 71071930
N-[5-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-6-fluorocyclohexa-1,5-dien-1-yl]-2,5-difluorobenzenesulfonamide
CID 123557128
(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methyl-4-propan-2-ylphenyl]carbamic acid
CID 71269986

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide (CID 44622209) is N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide is CCn1cc(-c2ccncc2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1.
What is the InChIKey of N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is GDMUNKBRWNCHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O2S/c1-2-30-12-15(13-7-9-27-10-8-13)22(28-30)20-17(25)5-6-18(21(20)26)29-33(31,32)19-11-14(23)3-4-16(19)24/h3-12,29H,2H2,1H3.
What are the key properties of N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 476.46 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 44622209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).