3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide

C18H16N2O3S — CID 47088040

IUPAC3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)c1
InChIInChI=1S/C18H16N2O3S/c1-14-3-2-4-18(13-14)24(21,22)20-15-5-7-16(8-6-15)23-17-9-11-19-12-10-17/h2-13,20H,1H3
InChIKeyUKINHFLBJNRCAW-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.98
Rot. Bonds5

About 3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide

3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide (PubChem CID 47088040) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
PubChem CID47088040
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)c1
InChIInChI=1S/C18H16N2O3S/c1-14-3-2-4-18(13-14)24(21,22)20-15-5-7-16(8-6-15)23-17-9-11-19-12-10-17/h2-13,20H,1H3
InChIKeyUKINHFLBJNRCAW-UHFFFAOYSA-N
XLogP3.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 49370742
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
CID 3768573
3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983762
N'-(3-methylphenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11359988
N-[4-[4-(methylamino)phenoxy]phenyl]-3-methylsulfonylbenzenesulfonamide
CID 59994937
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982764
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
CID 20705319
3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983095

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide (CID 47088040) is 3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)c1.
What is the InChIKey of 3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide?
The InChIKey is UKINHFLBJNRCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-14-3-2-4-18(13-14)24(21,22)20-15-5-7-16(8-6-15)23-17-9-11-19-12-10-17/h2-13,20H,1H3.
What are the key properties of 3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide?
3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 47088040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).