N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide

C16H15Cl3N2O3S — CID 132666721

IUPACN-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H15Cl3N2O3S/c1-10(16(22)20-12-5-3-11(17)4-6-12)21(25(2,23)24)13-7-8-14(18)15(19)9-13/h3-10H,1-2H3,(H,20,22)
InChIKeySNIVJSHEWDMKLD-UHFFFAOYSA-N
MW421.73 g/mol
LogP4.44
Rot. Bonds5

About N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide

N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide (PubChem CID 132666721) has the molecular formula C16H15Cl3N2O3S and a molecular weight of 421.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
PubChem CID132666721
Molecular FormulaC16H15Cl3N2O3S
Molecular Weight421.73 g/mol
Exact Mass419.99
IUPAC NameN-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H15Cl3N2O3S/c1-10(16(22)20-12-5-3-11(17)4-6-12)21(25(2,23)24)13-7-8-14(18)15(19)9-13/h3-10H,1-2H3,(H,20,22)
InChIKeySNIVJSHEWDMKLD-UHFFFAOYSA-N
XLogP4.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.73
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166758
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 132674080
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2223843
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide
CID 1289518
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166888
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2R)-2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 100523475
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
N-(3,4-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 132674088
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 1265335
2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 2968377

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide (CID 132666721) is N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide is CC(C(=O)Nc1ccc(Cl)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide?
The InChIKey is SNIVJSHEWDMKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O3S/c1-10(16(22)20-12-5-3-11(17)4-6-12)21(25(2,23)24)13-7-8-14(18)15(19)9-13/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide?
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide has a molecular weight of 421.73 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132666721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).