2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide

C16H15ClF2N2O3S — CID 2968294

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H15ClF2N2O3S/c1-10(16(22)20-12-5-8-14(18)15(19)9-12)21(25(2,23)24)13-6-3-11(17)4-7-13/h3-10H,1-2H3,(H,20,22)
InChIKeyAWEBLLMMBHQXQZ-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.41
Rot. Bonds5

About 2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide

2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 2968294) has the molecular formula C16H15ClF2N2O3S and a molecular weight of 388.82 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
PubChem CID2968294
Molecular FormulaC16H15ClF2N2O3S
Molecular Weight388.82 g/mol
Exact Mass388.05
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H15ClF2N2O3S/c1-10(16(22)20-12-5-8-14(18)15(19)9-12)21(25(2,23)24)13-6-3-11(17)4-7-13/h3-10H,1-2H3,(H,20,22)
InChIKeyAWEBLLMMBHQXQZ-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132661875
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126412221
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 99131979
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide
CID 1289518
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2S)-N-(3,4-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanamide
CID 42561501
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 2226509
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2R)-N-(3-bromophenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 1265285

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide (CID 2968294) is 2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide is CC(C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is AWEBLLMMBHQXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3S/c1-10(16(22)20-12-5-8-14(18)15(19)9-12)21(25(2,23)24)13-6-3-11(17)4-7-13/h3-10H,1-2H3,(H,20,22).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide?
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 388.82 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 2968294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).