1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide

C19H16Cl2N2O2S — CID 56581941

IUPAC1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H16Cl2N2O2S/c20-16-10-9-14(12-17(16)21)13-26(24,25)23-19(15-6-2-1-3-7-15)18-8-4-5-11-22-18/h1-12,19,23H,13H2
InChIKeyFGDBVOOWURDGBD-UHFFFAOYSA-N
MW407.32 g/mol
LogP4.60
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide (PubChem CID 56581941) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide
PubChem CID56581941
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC Name1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H16Cl2N2O2S/c20-16-10-9-14(12-17(16)21)13-26(24,25)23-19(15-6-2-1-3-7-15)18-8-4-5-11-22-18/h1-12,19,23H,13H2
InChIKeyFGDBVOOWURDGBD-UHFFFAOYSA-N
XLogP4.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide
CID 97014874
1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide
CID 43915985
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
CID 95968872
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410574
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513401
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide
CID 56513263
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
CID 46595754
3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide
CID 56513916
2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide (CID 56581941) is 1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide?
The InChIKey is FGDBVOOWURDGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c20-16-10-9-14(12-17(16)21)13-26(24,25)23-19(15-6-2-1-3-7-15)18-8-4-5-11-22-18/h1-12,19,23H,13H2.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide has a molecular weight of 407.32 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 56581941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).