N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide

C16H15Cl2FN2O4S — CID 2175101

IUPACN-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H15Cl2FN2O4S/c1-25-15-6-3-10(17)7-14(15)21(26(2,23)24)9-16(22)20-11-4-5-13(19)12(18)8-11/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyRDBFQBFACKSWGW-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.55
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 2175101) has the molecular formula C16H15Cl2FN2O4S and a molecular weight of 421.28 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID2175101
Molecular FormulaC16H15Cl2FN2O4S
Molecular Weight421.28 g/mol
Exact Mass420.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H15Cl2FN2O4S/c1-25-15-6-3-10(17)7-14(15)21(26(2,23)24)9-16(22)20-11-4-5-13(19)12(18)8-11/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyRDBFQBFACKSWGW-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 126033701
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 21372378
N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2209494
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1098011
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1343105
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998403
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157653
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3335724
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1095299
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113155086
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide (CID 2175101) is N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide is COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is RDBFQBFACKSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O4S/c1-25-15-6-3-10(17)7-14(15)21(26(2,23)24)9-16(22)20-11-4-5-13(19)12(18)8-11/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 421.28 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2175101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).