4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide

C15H18N2O3S — CID 110724539

IUPAC4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccncc2)c(C)c1
InChIInChI=1S/C15H18N2O3S/c1-11-10-14(20-3)4-5-15(11)21(18,19)17-12(2)13-6-8-16-9-7-13/h4-10,12,17H,1-3H3
InChIKeyRNTJRTUEPWMHCI-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.44
Rot. Bonds5

About 4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide

4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 110724539) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID110724539
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccncc2)c(C)c1
InChIInChI=1S/C15H18N2O3S/c1-11-10-14(20-3)4-5-15(11)21(18,19)17-12(2)13-6-8-16-9-7-13/h4-10,12,17H,1-3H3
InChIKeyRNTJRTUEPWMHCI-UHFFFAOYSA-N
XLogP2.44
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 40790424
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 127266824
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
5-amino-2-fluoro-3-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 80628123
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide (CID 110724539) is 4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccncc2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is RNTJRTUEPWMHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-10-14(20-3)4-5-15(11)21(18,19)17-12(2)13-6-8-16-9-7-13/h4-10,12,17H,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110724539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).