4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide

C21H19Cl3N2O2S — CID 42700861

IUPAC4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CN(CCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H19Cl3N2O2S/c1-15-3-2-4-19(25-15)14-26(12-11-16-5-6-18(23)13-21(16)24)29(27,28)20-9-7-17(22)8-10-20/h2-10,13H,11-12,14H2,1H3
InChIKeyVALAEILRMIGXME-UHFFFAOYSA-N
MW469.82 g/mol
LogP5.78
Rot. Bonds7

About 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide

4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (PubChem CID 42700861) has the molecular formula C21H19Cl3N2O2S and a molecular weight of 469.82 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
PubChem CID42700861
Molecular FormulaC21H19Cl3N2O2S
Molecular Weight469.82 g/mol
Exact Mass468.02
IUPAC Name4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CN(CCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H19Cl3N2O2S/c1-15-3-2-4-19(25-15)14-26(12-11-16-5-6-18(23)13-21(16)24)29(27,28)20-9-7-17(22)8-10-20/h2-10,13H,11-12,14H2,1H3
InChIKeyVALAEILRMIGXME-UHFFFAOYSA-N
XLogP5.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.82
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,4-dichlorophenyl)ethyl-[2-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]phenyl]benzoyl]amino]propanoic acid
CID 69429081
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-methylphenyl)acetamide
CID 126059067
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100793374
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3597205
3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084535
N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070095
N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide
CID 3688793
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 3894856
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301025
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 126079248
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 126066942
2-[[6-[[(4-tert-butylphenyl)methyl-(4-chlorophenyl)sulfonylamino]methyl]-2-pyridinyl]amino]acetic acid
CID 53259984

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (CID 42700861) is 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is Cc1cccc(CN(CCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is VALAEILRMIGXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl3N2O2S/c1-15-3-2-4-19(25-15)14-26(12-11-16-5-6-18(23)13-21(16)24)29(27,28)20-9-7-17(22)8-10-20/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 469.82 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42700861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).