2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide

C23H20ClF3N2O3S — CID 142014288

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide
SMILESCc1ccc(F)c(N(C(C)C(=O)NCc2c(F)cccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClF3N2O3S/c1-14-6-11-21(27)22(12-14)29(33(31,32)17-9-7-16(24)8-10-17)15(2)23(30)28-13-18-19(25)4-3-5-20(18)26/h3-12,15H,13H2,1-2H3,(H,28,30)
InChIKeyWHEGAXRTZHJXAE-UHFFFAOYSA-N
MW496.94 g/mol
LogP4.97
Rot. Bonds7

About 2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide

2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide (PubChem CID 142014288) has the molecular formula C23H20ClF3N2O3S and a molecular weight of 496.94 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide
PubChem CID142014288
Molecular FormulaC23H20ClF3N2O3S
Molecular Weight496.94 g/mol
Exact Mass496.08
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide
SMILESCc1ccc(F)c(N(C(C)C(=O)NCc2c(F)cccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClF3N2O3S/c1-14-6-11-21(27)22(12-14)29(33(31,32)17-9-7-16(24)8-10-17)15(2)23(30)28-13-18-19(25)4-3-5-20(18)26/h3-12,15H,13H2,1-2H3,(H,28,30)
InChIKeyWHEGAXRTZHJXAE-UHFFFAOYSA-N
XLogP4.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.94
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 23401815
(2R)-N-butyl-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propanamide;methane
CID 157477834
(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane
CID 158926383
N-[1-[(2,6-difluorophenyl)methylamino]propan-2-yl]-N-(2-fluoro-5-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 142014244
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 22275637
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 22275752
(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-[[4-(4,5-dihydrothiadiazol-4-yl)phenyl]methyl]propanamide
CID 91551912
(2S)-N-[(4-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131911
4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-4-methylphenyl]ethyl]benzenesulfonamide
CID 23401919
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide
CID 3284151
4-chloro-N-(2,5-difluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 57031982
4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 22275591

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide (CID 142014288) is 2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide is Cc1ccc(F)c(N(C(C)C(=O)NCc2c(F)cccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide?
The InChIKey is WHEGAXRTZHJXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O3S/c1-14-6-11-21(27)22(12-14)29(33(31,32)17-9-7-16(24)8-10-17)15(2)23(30)28-13-18-19(25)4-3-5-20(18)26/h3-12,15H,13H2,1-2H3,(H,28,30).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide?
2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide has a molecular weight of 496.94 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-fluoro-5-methylanilino)-N-[(2,6-difluorophenyl)methyl]propanamide is sourced from PubChem (CID 142014288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).