4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide

C23H22Cl2N2O3S — CID 100500998

IUPAC4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccc2c3c(cccc13)CC2)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H22Cl2N2O3S/c1-31(29,30)27(20-8-3-7-18(24)23(20)25)14-4-9-21(28)26-19-13-12-16-11-10-15-5-2-6-17(19)22(15)16/h2-3,5-8,12-13H,4,9-11,14H2,1H3,(H,26,28)
InChIKeyNALQGGZAXLQDLL-UHFFFAOYSA-N
MW477.41 g/mol
LogP5.43
Rot. Bonds7

About 4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide

4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide (PubChem CID 100500998) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is 4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide.

Molecular Properties

Compound Name4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
PubChem CID100500998
Molecular FormulaC23H22Cl2N2O3S
Molecular Weight477.41 g/mol
Exact Mass476.07
IUPAC Name4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccc2c3c(cccc13)CC2)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H22Cl2N2O3S/c1-31(29,30)27(20-8-3-7-18(24)23(20)25)14-4-9-21(28)26-19-13-12-16-11-10-15-5-2-6-17(19)22(15)16/h2-3,5-8,12-13H,4,9-11,14H2,1H3,(H,26,28)
InChIKeyNALQGGZAXLQDLL-UHFFFAOYSA-N
XLogP5.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-4-(N-methylsulfonyl-2-phenoxyanilino)butanamide
CID 100503541
4-[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
CID 100505035
4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100500855
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53287605
dimethyl 2-[4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]benzene-1,4-dicarboxylate
CID 100743483
N-(3-bromophenyl)-4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 100771740
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1105251
N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113146626

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide?
The IUPAC name of 4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide (CID 100500998) is 4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide.
What is the SMILES notation for 4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide?
The canonical SMILES for 4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide is CS(=O)(=O)N(CCCC(=O)Nc1ccc2c3c(cccc13)CC2)c1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide?
The InChIKey is NALQGGZAXLQDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S/c1-31(29,30)27(20-8-3-7-18(24)23(20)25)14-4-9-21(28)26-19-13-12-16-11-10-15-5-2-6-17(19)22(15)16/h2-3,5-8,12-13H,4,9-11,14H2,1H3,(H,26,28).
What are the key properties of 4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide?
4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide has a molecular weight of 477.41 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide is sourced from PubChem (CID 100500998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).