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

C21H23N3O2S — CID 113026553

IUPAC2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3C)cn2)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-15-8-10-20(17(3)12-15)27(25,26)24-21-11-9-19(14-23-21)22-13-18-7-5-4-6-16(18)2/h4-12,14,22H,13H2,1-3H3,(H,23,24)
InChIKeyUSSHWJBQKBJJEJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.42
Rot. Bonds6

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

2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide (PubChem CID 113026553) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
PubChem CID113026553
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3C)cn2)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-15-8-10-20(17(3)12-15)27(25,26)24-21-11-9-19(14-23-21)22-13-18-7-5-4-6-16(18)2/h4-12,14,22H,13H2,1-3H3,(H,23,24)
InChIKeyUSSHWJBQKBJJEJ-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-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026561
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
N-[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012075
2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
CID 113023907
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113027057
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026562
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202093
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027064
N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113026445
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113011606

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide (CID 113026553) is 2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3C)cn2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The InChIKey is USSHWJBQKBJJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15-8-10-20(17(3)12-15)27(25,26)24-21-11-9-19(14-23-21)22-13-18-7-5-4-6-16(18)2/h4-12,14,22H,13H2,1-3H3,(H,23,24).
What are the key properties of 2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
2,4-dimethyl-N-[5-[(2-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-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113026553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).