2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide

C17H17Cl2N3O4S — CID 55959694

IUPAC2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O4S/c1-2-27(25,26)22-13-6-4-12(5-7-13)21-16(23)10-20-17(24)14-8-3-11(18)9-15(14)19/h3-9,22H,2,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyLQQABTKLABERSA-UHFFFAOYSA-N
MW430.31 g/mol
LogP3.12
Rot. Bonds7

About 2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide (PubChem CID 55959694) has the molecular formula C17H17Cl2N3O4S and a molecular weight of 430.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
PubChem CID55959694
Molecular FormulaC17H17Cl2N3O4S
Molecular Weight430.31 g/mol
Exact Mass429.03
IUPAC Name2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O4S/c1-2-27(25,26)22-13-6-4-12(5-7-13)21-16(23)10-20-17(24)14-8-3-11(18)9-15(14)19/h3-9,22H,2,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyLQQABTKLABERSA-UHFFFAOYSA-N
XLogP3.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
2,4-dichloro-N-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108765876
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 17492032
2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959821
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2,4-dichloro-N-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide
CID 108754497
N-[4-(ethylsulfonylamino)phenyl]-2-(methylamino)acetamide
CID 54863090
2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 60945147
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide (CID 55959694) is 2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide?
The InChIKey is LQQABTKLABERSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4S/c1-2-27(25,26)22-13-6-4-12(5-7-13)21-16(23)10-20-17(24)14-8-3-11(18)9-15(14)19/h3-9,22H,2,10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide has a molecular weight of 430.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55959694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).