2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide

C19H22Cl2N2O3S — CID 126415552

IUPAC2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-2-3-7-12-22-19(24)14-23(18-13-15(20)10-11-17(18)21)27(25,26)16-8-5-4-6-9-16/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H,22,24)
InChIKeyUUNINPASLSYZOI-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.50
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide

2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide (PubChem CID 126415552) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
PubChem CID126415552
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-2-3-7-12-22-19(24)14-23(18-13-15(20)10-11-17(18)21)27(25,26)16-8-5-4-6-9-16/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H,22,24)
InChIKeyUUNINPASLSYZOI-UHFFFAOYSA-N
XLogP4.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
CID 126120768
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
CID 2221414
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
CID 126260091
2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-butylpropanamide
CID 132757076
(2S)-2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]-benzylamino]-N-propylbutanamide
CID 100541701
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate
CID 8705400
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
CID 126270307
2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]-[(4-bromophenyl)methyl]amino]-N-butylpropanamide
CID 133152322
2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 132696367
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 43893372
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 5203198
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide (CID 126415552) is 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide is CCCCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide?
The InChIKey is UUNINPASLSYZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-2-3-7-12-22-19(24)14-23(18-13-15(20)10-11-17(18)21)27(25,26)16-8-5-4-6-9-16/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide?
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide has a molecular weight of 429.37 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide is sourced from PubChem (CID 126415552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).