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

C17H18Cl2N2O3S — CID 4311330

IUPACN-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-15(19)5-4-6-16(11)20-17(22)12(2)21(25(3,23)24)14-9-7-13(18)8-10-14/h4-10,12H,1-3H3,(H,20,22)
InChIKeyLTBZZLIDJYTDDZ-UHFFFAOYSA-N
MW401.32 g/mol
LogP4.10
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide (PubChem CID 4311330) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
PubChem CID4311330
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-15(19)5-4-6-16(11)20-17(22)12(2)21(25(3,23)24)14-9-7-13(18)8-10-14/h4-10,12H,1-3H3,(H,20,22)
InChIKeyLTBZZLIDJYTDDZ-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide (CID 4311330) is N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide is Cc1c(Cl)cccc1NC(=O)C(C)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide?
The InChIKey is LTBZZLIDJYTDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-11-15(19)5-4-6-16(11)20-17(22)12(2)21(25(3,23)24)14-9-7-13(18)8-10-14/h4-10,12H,1-3H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide?
N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide has a molecular weight of 401.32 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 4311330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).