N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide

C17H16Cl2N2O4S — CID 126032035

IUPACN-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H16Cl2N2O4S/c1-11(22)12-4-3-5-13(8-12)20-17(23)10-21(26(2,24)25)14-6-7-15(18)16(19)9-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyVEKAWWVRBSKWMN-UHFFFAOYSA-N
MW415.30 g/mol
LogP3.60
Rot. Bonds6

About N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide

N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 126032035) has the molecular formula C17H16Cl2N2O4S and a molecular weight of 415.30 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID126032035
Molecular FormulaC17H16Cl2N2O4S
Molecular Weight415.30 g/mol
Exact Mass414.02
IUPAC NameN-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H16Cl2N2O4S/c1-11(22)12-4-3-5-13(8-12)20-17(23)10-21(26(2,24)25)14-6-7-15(18)16(19)9-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyVEKAWWVRBSKWMN-UHFFFAOYSA-N
XLogP3.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249861
N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113157714
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 5201560
3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29331543
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 2175051
2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 1295950
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide (CID 126032035) is N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide is CC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is VEKAWWVRBSKWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4S/c1-11(22)12-4-3-5-13(8-12)20-17(23)10-21(26(2,24)25)14-6-7-15(18)16(19)9-14/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide?
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 415.30 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126032035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).