methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate

C24H19F3N4O4S — CID 67377814

IUPACmethyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(=O)OC)S(=O)(=O)c3cccc(F)c3)c2F)n1
InChIInChI=1S/C24H19F3N4O4S/c1-3-30-14-18(15-9-11-28-12-10-15)23(29-30)21-19(26)7-8-20(22(21)27)31(24(32)35-2)36(33,34)17-6-4-5-16(25)13-17/h4-14H,3H2,1-2H3
InChIKeyYXRSVFGEPKFWIZ-UHFFFAOYSA-N
MW516.50 g/mol
LogP5.01
Rot. Bonds6

About methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate

methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate (PubChem CID 67377814) has the molecular formula C24H19F3N4O4S and a molecular weight of 516.50 g/mol. Its IUPAC name is methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate
PubChem CID67377814
Molecular FormulaC24H19F3N4O4S
Molecular Weight516.50 g/mol
Exact Mass516.11
IUPAC Namemethyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(=O)OC)S(=O)(=O)c3cccc(F)c3)c2F)n1
InChIInChI=1S/C24H19F3N4O4S/c1-3-30-14-18(15-9-11-28-12-10-15)23(29-30)21-19(26)7-8-20(22(21)27)31(24(32)35-2)36(33,34)17-6-4-5-16(25)13-17/h4-14H,3H2,1-2H3
InChIKeyYXRSVFGEPKFWIZ-UHFFFAOYSA-N
XLogP5.01
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate
CID 53341602
N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide
CID 53341262
methyl N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate
CID 67377569
[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)-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-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622209
methyl 2-[N-(2,5-difluorophenyl)sulfonyl-3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylanilino]benzoate
CID 53341073
(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-4-fluoro-2-propan-2-ylphenyl]carbamic acid
CID 71269963
2-[[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluoro-N-(2-fluorophenyl)sulfonylanilino]methyl]benzoic acid
CID 141314346
(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methyl-4-propan-2-ylphenyl]carbamic acid
CID 71269986
N-[2-(aminomethyl)-3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-N-(2,5-difluorophenyl)sulfonylacetamide
CID 174772905

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate?
The IUPAC name of methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate (CID 67377814) is methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate.
What is the SMILES notation for methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate?
The canonical SMILES for methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate is CCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(=O)OC)S(=O)(=O)c3cccc(F)c3)c2F)n1.
What is the InChIKey of methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate?
The InChIKey is YXRSVFGEPKFWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O4S/c1-3-30-14-18(15-9-11-28-12-10-15)23(29-30)21-19(26)7-8-20(22(21)27)31(24(32)35-2)36(33,34)17-6-4-5-16(25)13-17/h4-14H,3H2,1-2H3.
What are the key properties of methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate?
methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate has a molecular weight of 516.50 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate is sourced from PubChem (CID 67377814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).