N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide

C17H17ClF2N2O3S — CID 132661875

IUPACN-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(NC(=O)C(C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C17H17ClF2N2O3S/c1-10-4-5-12(8-14(10)18)21-17(23)11(2)22(26(3,24)25)13-6-7-15(19)16(20)9-13/h4-9,11H,1-3H3,(H,21,23)
InChIKeyWKPZCJPCQFBFEB-UHFFFAOYSA-N
MW402.85 g/mol
LogP3.72
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide (PubChem CID 132661875) has the molecular formula C17H17ClF2N2O3S and a molecular weight of 402.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
PubChem CID132661875
Molecular FormulaC17H17ClF2N2O3S
Molecular Weight402.85 g/mol
Exact Mass402.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(NC(=O)C(C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C17H17ClF2N2O3S/c1-10-4-5-12(8-14(10)18)21-17(23)11(2)22(26(3,24)25)13-6-7-15(19)16(20)9-13/h4-9,11H,1-3H3,(H,21,23)
InChIKeyWKPZCJPCQFBFEB-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
(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
(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2964493
N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 53281549
3-[2-(3,4-difluoro-N-methylsulfonylanilino)propanoylamino]benzamide
CID 53288438
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-prop-2-enoxyphenyl)propanamide
CID 132667029

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide (CID 132661875) is N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide is Cc1ccc(NC(=O)C(C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is WKPZCJPCQFBFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O3S/c1-10-4-5-12(8-14(10)18)21-17(23)11(2)22(26(3,24)25)13-6-7-15(19)16(20)9-13/h4-9,11H,1-3H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 402.85 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132661875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).