3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide

C19H18N2O3S — CID 49370742

IUPAC3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)cc1C
InChIInChI=1S/C19H18N2O3S/c1-14-3-8-19(13-15(14)2)25(22,23)21-16-4-6-17(7-5-16)24-18-9-11-20-12-10-18/h3-13,21H,1-2H3
InChIKeyDFMXIPNYZSGIPX-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.29
Rot. Bonds5

About 3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide

3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide (PubChem CID 49370742) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
PubChem CID49370742
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)cc1C
InChIInChI=1S/C19H18N2O3S/c1-14-3-8-19(13-15(14)2)25(22,23)21-16-4-6-17(7-5-16)24-18-9-11-20-12-10-18/h3-13,21H,1-2H3
InChIKeyDFMXIPNYZSGIPX-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

3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 47088040
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25046641
3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312325
3,4-dimethyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307745
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
N-[4-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65031273
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571081
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110726562

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide (CID 49370742) is 3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide?
The InChIKey is DFMXIPNYZSGIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-14-3-8-19(13-15(14)2)25(22,23)21-16-4-6-17(7-5-16)24-18-9-11-20-12-10-18/h3-13,21H,1-2H3.
What are the key properties of 3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide?
3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)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 3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 49370742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).