2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide

C21H23N3O2S — CID 113026753

IUPAC2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3C)nc2)cc1
InChIInChI=1S/C21H23N3O2S/c1-15-4-7-18(8-5-15)13-22-19-9-11-21(23-14-19)24-27(25,26)20-10-6-16(2)12-17(20)3/h4-12,14,22H,13H2,1-3H3,(H,23,24)
InChIKeyHIDPXRHPOHFOOG-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.42
Rot. Bonds6

About 2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide

2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide (PubChem CID 113026753) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
PubChem CID113026753
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3C)nc2)cc1
InChIInChI=1S/C21H23N3O2S/c1-15-4-7-18(8-5-15)13-22-19-9-11-21(23-14-19)24-27(25,26)20-10-6-16(2)12-17(20)3/h4-12,14,22H,13H2,1-3H3,(H,23,24)
InChIKeyHIDPXRHPOHFOOG-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
CID 113023907
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113026445
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113041807
N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113013339
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113027464
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113036484
N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026762
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide (CID 113026753) is 2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide is Cc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3C)nc2)cc1.
What is the InChIKey of 2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The InChIKey is HIDPXRHPOHFOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15-4-7-18(8-5-15)13-22-19-9-11-21(23-14-19)24-27(25,26)20-10-6-16(2)12-17(20)3/h4-12,14,22H,13H2,1-3H3,(H,23,24).
What are the key properties of 2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113026753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).