4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide

C23H17ClN2O2S — CID 66714521

IUPAC4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnccc2-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O2S/c24-19-8-12-21(13-9-19)29(27,28)26-20-10-6-18(7-11-20)23-16-25-15-14-22(23)17-4-2-1-3-5-17/h1-16,26H
InChIKeySEUJQCIAQIYOIK-UHFFFAOYSA-N
MW420.92 g/mol
LogP5.87
Rot. Bonds5

About 4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide

4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide (PubChem CID 66714521) has the molecular formula C23H17ClN2O2S and a molecular weight of 420.92 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide
PubChem CID66714521
Molecular FormulaC23H17ClN2O2S
Molecular Weight420.92 g/mol
Exact Mass420.07
IUPAC Name4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnccc2-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O2S/c24-19-8-12-21(13-9-19)29(27,28)26-20-10-6-18(7-11-20)23-16-25-15-14-22(23)17-4-2-1-3-5-17/h1-16,26H
InChIKeySEUJQCIAQIYOIK-UHFFFAOYSA-N
XLogP5.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714189
N-[4-[1-[4-[1-[4-[3-[4-(benzylsulfonylamino)-2-methylphenyl]-4-pyridinyl]phenyl]-3-[4-(benzylsulfonylamino)phenyl]pyridin-1-ium-4-yl]phenyl]-4-phenylpyridin-1-ium-3-yl]phenyl]-4-chlorobenzenesulfonamide
CID 123221658
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714618
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
N-[4-(4-methyl-3-pyridinyl)phenyl]pyridine-3-sulfonamide
CID 56652325
4-methoxy-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714466
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25041089
4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 11566395
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
CID 172686672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide (CID 66714521) is 4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cnccc2-c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide?
The InChIKey is SEUJQCIAQIYOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2S/c24-19-8-12-21(13-9-19)29(27,28)26-20-10-6-18(7-11-20)23-16-25-15-14-22(23)17-4-2-1-3-5-17/h1-16,26H.
What are the key properties of 4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide?
4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide has a molecular weight of 420.92 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 66714521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).