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

C15H18N2O4S — CID 110724455

IUPAC2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccn2)c(OC)c1
InChIInChI=1S/C15H18N2O4S/c1-11(13-6-4-5-9-16-13)17-22(18,19)15-8-7-12(20-2)10-14(15)21-3/h4-11,17H,1-3H3
InChIKeyAVYMFIQDZRIQTL-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.14
Rot. Bonds6

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

2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 110724455) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID110724455
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccn2)c(OC)c1
InChIInChI=1S/C15H18N2O4S/c1-11(13-6-4-5-9-16-13)17-22(18,19)15-8-7-12(20-2)10-14(15)21-3/h4-11,17H,1-3H3
InChIKeyAVYMFIQDZRIQTL-UHFFFAOYSA-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-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524291
2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 40790424
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81393307
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide (CID 110724455) is 2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccccn2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is AVYMFIQDZRIQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11(13-6-4-5-9-16-13)17-22(18,19)15-8-7-12(20-2)10-14(15)21-3/h4-11,17H,1-3H3.
What are the key properties of 2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
2,4-dimethoxy-N-(1-pyridin-2-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-(1-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110724455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).