2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide

C17H15Cl2F3N2O4S — CID 133166605

IUPAC2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C17H15Cl2F3N2O4S/c1-10(24(29(2,26)27)14-8-11(18)7-12(19)9-14)16(25)23-13-3-5-15(6-4-13)28-17(20,21)22/h3-10H,1-2H3,(H,23,25)
InChIKeySHOPWHDMFCBFBU-UHFFFAOYSA-N
MW471.28 g/mol
LogP4.69
Rot. Bonds6

About 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide

2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 133166605) has the molecular formula C17H15Cl2F3N2O4S and a molecular weight of 471.28 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID133166605
Molecular FormulaC17H15Cl2F3N2O4S
Molecular Weight471.28 g/mol
Exact Mass470.01
IUPAC Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C17H15Cl2F3N2O4S/c1-10(24(29(2,26)27)14-8-11(18)7-12(19)9-14)16(25)23-13-3-5-15(6-4-13)28-17(20,21)22/h3-10H,1-2H3,(H,23,25)
InChIKeySHOPWHDMFCBFBU-UHFFFAOYSA-N
XLogP4.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133168887
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 125075043
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166604
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 125072382
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2223843
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 1241970
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 133166605) is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide is CC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is SHOPWHDMFCBFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O4S/c1-10(24(29(2,26)27)14-8-11(18)7-12(19)9-14)16(25)23-13-3-5-15(6-4-13)28-17(20,21)22/h3-10H,1-2H3,(H,23,25).
What are the key properties of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 471.28 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 133166605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).