2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide

C18H20Cl2N2O3S — CID 3598869

IUPAC2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-3-11-21-17(23)12-22(16-6-4-5-15(19)18(16)20)26(24,25)14-9-7-13(2)8-10-14/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyQKYSRDWCFKVGOE-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.02
Rot. Bonds7

About 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide

2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide (PubChem CID 3598869) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
PubChem CID3598869
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-3-11-21-17(23)12-22(16-6-4-5-15(19)18(16)20)26(24,25)14-9-7-13(2)8-10-14/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyQKYSRDWCFKVGOE-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 4694822
(2R)-2-[benzyl-[2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propylbutanamide
CID 100541734
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50892343
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 5226601
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2228989
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2223839
2-[[2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 132698155
4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892150
N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30229871
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338814
2-[[2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 132694088

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide?
The IUPAC name of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide (CID 3598869) is 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide.
What is the SMILES notation for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide?
The canonical SMILES for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide is CCCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide?
The InChIKey is QKYSRDWCFKVGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-3-11-21-17(23)12-22(16-6-4-5-15(19)18(16)20)26(24,25)14-9-7-13(2)8-10-14/h4-10H,3,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide?
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide has a molecular weight of 415.34 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide is sourced from PubChem (CID 3598869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).