3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide

C18H14Cl2N2O2S — CID 112771130

IUPAC3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccncc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O2S/c19-16-7-6-15(12-17(16)20)25(23,24)22-18(13-4-2-1-3-5-13)14-8-10-21-11-9-14/h1-12,18,22H
InChIKeyWVGBVOJFZKHNNH-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.46
Rot. Bonds5

About 3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide

3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide (PubChem CID 112771130) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
PubChem CID112771130
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Name3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccncc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2O2S/c19-16-7-6-15(12-17(16)20)25(23,24)22-18(13-4-2-1-3-5-13)14-8-10-21-11-9-14/h1-12,18,22H
InChIKeyWVGBVOJFZKHNNH-UHFFFAOYSA-N
XLogP4.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(R)-phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 40738951
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
3,4-diamino-N-benzhydrylbenzenesulfonamide
CID 142157498
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 17452020
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
N-benzhydryl-2,6-dichlorobenzenesulfonamide
CID 3332711
2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide
CID 25393397
5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 112771144
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide (CID 112771130) is 3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1ccncc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
The InChIKey is WVGBVOJFZKHNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c19-16-7-6-15(12-17(16)20)25(23,24)22-18(13-4-2-1-3-5-13)14-8-10-21-11-9-14/h1-12,18,22H.
What are the key properties of 3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide has a molecular weight of 393.30 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 112771130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).