N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide

C20H20N2O3S — CID 42691246

IUPACN-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C)c(Oc2ccc(NS(=O)(=O)c3ccccc3C)cn2)c1
InChIInChI=1S/C20H20N2O3S/c1-14-8-9-15(2)18(12-14)25-20-11-10-17(13-21-20)22-26(23,24)19-7-5-4-6-16(19)3/h4-13,22H,1-3H3
InChIKeyDZWDJFUFISGJPF-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.60
Rot. Bonds5

About N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide

N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 42691246) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID42691246
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C)c(Oc2ccc(NS(=O)(=O)c3ccccc3C)cn2)c1
InChIInChI=1S/C20H20N2O3S/c1-14-8-9-15(2)18(12-14)25-20-11-10-17(13-21-20)22-26(23,24)19-7-5-4-6-16(19)3/h4-13,22H,1-3H3
InChIKeyDZWDJFUFISGJPF-UHFFFAOYSA-N
XLogP4.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide
CID 42878477
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016520
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582665
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
CID 110735573
1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide
CID 55895850
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide (CID 42691246) is N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide is Cc1ccc(C)c(Oc2ccc(NS(=O)(=O)c3ccccc3C)cn2)c1.
What is the InChIKey of N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is DZWDJFUFISGJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14-8-9-15(2)18(12-14)25-20-11-10-17(13-21-20)22-26(23,24)19-7-5-4-6-16(19)3/h4-13,22H,1-3H3.
What are the key properties of N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide?
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 42691246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).