N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

C22H25N3O2S — CID 113017322

IUPACN-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)c1C
InChIInChI=1S/C22H25N3O2S/c1-15(2)18-8-11-20(12-9-18)28(26,27)25-19-10-13-22(23-14-19)24-21-7-5-6-16(3)17(21)4/h5-15,25H,1-4H3,(H,23,24)
InChIKeyQQJJFAAPXACDBY-UHFFFAOYSA-N
MW395.53 g/mol
LogP5.37
Rot. Bonds6

About N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 113017322) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID113017322
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)c1C
InChIInChI=1S/C22H25N3O2S/c1-15(2)18-8-11-20(12-9-18)28(26,27)25-19-10-13-22(23-14-19)24-21-7-5-6-16(3)17(21)4/h5-15,25H,1-4H3,(H,23,24)
InChIKeyQQJJFAAPXACDBY-UHFFFAOYSA-N
XLogP5.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113022925
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide
CID 113017331
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113046610
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018806

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (CID 113017322) is N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)c1C.
What is the InChIKey of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is QQJJFAAPXACDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15(2)18-8-11-20(12-9-18)28(26,27)25-19-10-13-22(23-14-19)24-21-7-5-6-16(3)17(21)4/h5-15,25H,1-4H3,(H,23,24).
What are the key properties of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 395.53 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113017322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).