N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide

C16H15Cl2FN2O3S — CID 39621592

IUPACN-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2FN2O3S/c1-10-3-4-11(19)7-15(10)25(23,24)21(2)9-16(22)20-12-5-6-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyOEBGERYTUHQPQN-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.70
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide

N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 39621592) has the molecular formula C16H15Cl2FN2O3S and a molecular weight of 405.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID39621592
Molecular FormulaC16H15Cl2FN2O3S
Molecular Weight405.28 g/mol
Exact Mass404.02
IUPAC NameN-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2FN2O3S/c1-10-3-4-11(19)7-15(10)25(23,24)21(2)9-16(22)20-12-5-6-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyOEBGERYTUHQPQN-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide (CID 39621592) is N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide is Cc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is OEBGERYTUHQPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O3S/c1-10-3-4-11(19)7-15(10)25(23,24)21(2)9-16(22)20-12-5-6-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 405.28 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 39621592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).