4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide

C20H17N3O2S — CID 71579773

IUPAC4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)nc1C
InChIInChI=1S/C20H17N3O2S/c1-14-3-12-20(22-15(14)2)23-26(24,25)19-10-8-18(9-11-19)17-6-4-16(13-21)5-7-17/h3-12H,1-2H3,(H,22,23)
InChIKeyPUZJTIRBRVVVSX-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.04
Rot. Bonds4

About 4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide

4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide (PubChem CID 71579773) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide
PubChem CID71579773
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)nc1C
InChIInChI=1S/C20H17N3O2S/c1-14-3-12-20(22-15(14)2)23-26(24,25)19-10-8-18(9-11-19)17-6-4-16(13-21)5-7-17/h3-12H,1-2H3,(H,22,23)
InChIKeyPUZJTIRBRVVVSX-UHFFFAOYSA-N
XLogP4.04
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide (CID 71579773) is 4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)nc1C.
What is the InChIKey of 4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is PUZJTIRBRVVVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-14-3-12-20(22-15(14)2)23-26(24,25)19-10-8-18(9-11-19)17-6-4-16(13-21)5-7-17/h3-12H,1-2H3,(H,22,23).
What are the key properties of 4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide?
4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-(5,6-dimethyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71579773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).