4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide

C17H18Cl2N2O3S — CID 9173147

IUPAC4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-25(23,24)21(14-10-8-13(18)9-11-14)12-4-7-17(22)20-16-6-3-2-5-15(16)19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,22)
InChIKeyUUBZOONJZBRDKE-UHFFFAOYSA-N
MW401.32 g/mol
LogP4.18
Rot. Bonds7

About 4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide

4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide (PubChem CID 9173147) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
PubChem CID9173147
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-25(23,24)21(14-10-8-13(18)9-11-14)12-4-7-17(22)20-16-6-3-2-5-15(16)19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,22)
InChIKeyUUBZOONJZBRDKE-UHFFFAOYSA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 9173695
N-(2-chlorophenyl)-3-[4-(dimethylamino)-N-methylsulfonylanilino]propanamide
CID 113145747
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560
N-(5-chloro-2-methylphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173354
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53281074
N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
CID 9173648
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
CID 21173638
4-(4-chloro-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)butanamide
CID 9172941
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 21366899
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide?
The IUPAC name of 4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide (CID 9173147) is 4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide?
The canonical SMILES for 4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide is CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide?
The InChIKey is UUBZOONJZBRDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-25(23,24)21(14-10-8-13(18)9-11-14)12-4-7-17(22)20-16-6-3-2-5-15(16)19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,22).
What are the key properties of 4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide?
4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide has a molecular weight of 401.32 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide is sourced from PubChem (CID 9173147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).