2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide

C19H17ClN2O3S — CID 1329391

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
SMILESCN(CC(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-22(26(24,25)16-11-9-15(20)10-12-16)13-19(23)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3,(H,21,23)
InChIKeyBUERYYWUHFBUOY-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.75
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide (PubChem CID 1329391) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
PubChem CID1329391
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
SMILESCN(CC(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-22(26(24,25)16-11-9-15(20)10-12-16)13-19(23)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3,(H,21,23)
InChIKeyBUERYYWUHFBUOY-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 40624086
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 18191893
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 126387507
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 30172406
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 24583785
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
N-(4-chlorophenyl)-2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
CID 55466552
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 1281147
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide (CID 1329391) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide is CN(CC(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
The InChIKey is BUERYYWUHFBUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-22(26(24,25)16-11-9-15(20)10-12-16)13-19(23)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide has a molecular weight of 388.88 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 1329391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).