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

C19H18N2O3S — CID 42878477

IUPACN-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(C)c(Oc2ccc(NS(=O)(=O)c3ccccc3)cn2)c1
InChIInChI=1S/C19H18N2O3S/c1-14-8-9-15(2)18(12-14)24-19-11-10-16(13-20-19)21-25(22,23)17-6-4-3-5-7-17/h3-13,21H,1-2H3
InChIKeyPTUUCAXBGSCQBT-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.29
Rot. Bonds5

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

N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide (PubChem CID 42878477) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide
PubChem CID42878477
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(C)c(Oc2ccc(NS(=O)(=O)c3ccccc3)cn2)c1
InChIInChI=1S/C19H18N2O3S/c1-14-8-9-15(2)18(12-14)24-19-11-10-16(13-20-19)21-25(22,23)17-6-4-3-5-7-17/h3-13,21H,1-2H3
InChIKeyPTUUCAXBGSCQBT-UHFFFAOYSA-N
XLogP4.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 42691246
1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide
CID 55895850
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582665
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016520
3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 81259188
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
CID 113010994
6-(2,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24698854
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113023014
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide (CID 42878477) is N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide is Cc1ccc(C)c(Oc2ccc(NS(=O)(=O)c3ccccc3)cn2)c1.
What is the InChIKey of N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide?
The InChIKey is PTUUCAXBGSCQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-14-8-9-15(2)18(12-14)24-19-11-10-16(13-20-19)21-25(22,23)17-6-4-3-5-7-17/h3-13,21H,1-2H3.
What are the key properties of N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide?
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]benzenesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 4.29, 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]benzenesulfonamide is sourced from PubChem (CID 42878477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).