N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

C19H16ClFN2O3S — CID 1285660

IUPACN-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClFN2O3S/c1-23(12-19(24)22-15-7-9-18(21)17(20)11-15)27(25,26)16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3,(H,22,24)
InChIKeyFBVDJOMAPPUZSG-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.89
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 1285660) has the molecular formula C19H16ClFN2O3S and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
PubChem CID1285660
Molecular FormulaC19H16ClFN2O3S
Molecular Weight406.87 g/mol
Exact Mass406.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClFN2O3S/c1-23(12-19(24)22-15-7-9-18(21)17(20)11-15)27(25,26)16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3,(H,22,24)
InChIKeyFBVDJOMAPPUZSG-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 1285660) is N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The InChIKey is FBVDJOMAPPUZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3S/c1-23(12-19(24)22-15-7-9-18(21)17(20)11-15)27(25,26)16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide has a molecular weight of 406.87 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 1285660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).