4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

C19H15Cl3N2O2S — CID 2726776

IUPAC4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl3N2O2S/c20-16-5-7-18(8-6-16)27(25,26)24(12-14-2-1-9-23-11-14)13-15-3-4-17(21)10-19(15)22/h1-11H,12-13H2
InChIKeyAZRSDCACETWUDH-UHFFFAOYSA-N
MW441.77 g/mol
LogP5.43
Rot. Bonds6

About 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 2726776) has the molecular formula C19H15Cl3N2O2S and a molecular weight of 441.77 g/mol. Its IUPAC name is 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID2726776
Molecular FormulaC19H15Cl3N2O2S
Molecular Weight441.77 g/mol
Exact Mass439.99
IUPAC Name4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl3N2O2S/c20-16-5-7-18(8-6-16)27(25,26)24(12-14-2-1-9-23-11-14)13-15-3-4-17(21)10-19(15)22/h1-11H,12-13H2
InChIKeyAZRSDCACETWUDH-UHFFFAOYSA-N
XLogP5.43
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.77
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-Chloronaphthyl)sulfonyl](3-pyridylmethyl)amine
CID 671595
3-{1-[(4-Chlorophenyl)sulfonyl]piperidin-2-yl}pyridine
CID 2894141
Benzenesulfonamide, 2,4-dichloro-3-methyl-N-(3-pyridyl)-
CID 534146
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
CID 2807131
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
3-{1-[(4-Chlorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738276
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 2738376
3-[1-(2,4-Dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine
CID 2805684
4-chloro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
CID 6157925
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)pyridine-3-sulfonamide
CID 46229898

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 2726776) is 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is AZRSDCACETWUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O2S/c20-16-5-7-18(8-6-16)27(25,26)24(12-14-2-1-9-23-11-14)13-15-3-4-17(21)10-19(15)22/h1-11H,12-13H2.
What are the key properties of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 441.77 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2726776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).