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

C20H18ClFN2O3S — CID 1243544

IUPACN-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18ClFN2O3S/c1-2-24(13-20(25)23-16-8-10-19(22)18(21)12-16)28(26,27)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3,(H,23,25)
InChIKeyAAEHIXLKCUTPCR-UHFFFAOYSA-N
MW420.89 g/mol
LogP4.28
Rot. Bonds6

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

N-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 1243544) has the molecular formula C20H18ClFN2O3S and a molecular weight of 420.89 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
PubChem CID1243544
Molecular FormulaC20H18ClFN2O3S
Molecular Weight420.89 g/mol
Exact Mass420.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18ClFN2O3S/c1-2-24(13-20(25)23-16-8-10-19(22)18(21)12-16)28(26,27)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3,(H,23,25)
InChIKeyAAEHIXLKCUTPCR-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 54.28
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-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 1243544) is N-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide is CCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The InChIKey is AAEHIXLKCUTPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3S/c1-2-24(13-20(25)23-16-8-10-19(22)18(21)12-16)28(26,27)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide has a molecular weight of 420.89 g/mol, XLogP of 4.28, 6 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-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 1243544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).