3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C15H18N2O3S — CID 110757356

IUPAC3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C15H18N2O3S/c1-17(11-8-13-6-9-16-10-7-13)21(18,19)15-5-3-4-14(12-15)20-2/h3-7,9-10,12H,8,11H2,1-2H3
InChIKeyBYHKZTOSDDTYAD-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.95
Rot. Bonds6

About 3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 110757356) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID110757356
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C15H18N2O3S/c1-17(11-8-13-6-9-16-10-7-13)21(18,19)15-5-3-4-14(12-15)20-2/h3-7,9-10,12H,8,11H2,1-2H3
InChIKeyBYHKZTOSDDTYAD-UHFFFAOYSA-N
XLogP1.95
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109065020
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757747
2-methoxy-N,4,6-trimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110759535
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 110759653
N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 47084792
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 110757356) is 3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is COc1cccc(S(=O)(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of 3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is BYHKZTOSDDTYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17(11-8-13-6-9-16-10-7-13)21(18,19)15-5-3-4-14(12-15)20-2/h3-7,9-10,12H,8,11H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110757356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).