2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide

C15H18N2O4S — CID 40790424

IUPAC2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)c(OC)c1
InChIInChI=1S/C15H18N2O4S/c1-11(12-6-8-16-9-7-12)17-22(18,19)15-5-4-13(20-2)10-14(15)21-3/h4-11,17H,1-3H3/t11-/m0/s1
InChIKeyAPMGWPVMVSWBBM-NSHDSACASA-N
MW322.39 g/mol
LogP2.14
Rot. Bonds6

About 2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide

2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide (PubChem CID 40790424) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
PubChem CID40790424
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)c(OC)c1
InChIInChI=1S/C15H18N2O4S/c1-11(12-6-8-16-9-7-12)17-22(18,19)15-5-4-13(20-2)10-14(15)21-3/h4-11,17H,1-3H3/t11-/m0/s1
InChIKeyAPMGWPVMVSWBBM-NSHDSACASA-N
XLogP2.14
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 110724539
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22209016

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide (CID 40790424) is 2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide?
The InChIKey is APMGWPVMVSWBBM-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11(12-6-8-16-9-7-12)17-22(18,19)15-5-4-13(20-2)10-14(15)21-3/h4-11,17H,1-3H3/t11-/m0/s1.
What are the key properties of 2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide?
2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 40790424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).