N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide

C15H18N2O4S — CID 2812403

IUPACN-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
SMILESCCc1ccnc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C15H18N2O4S/c1-4-11-7-8-16-15(9-11)17-22(18,19)12-5-6-13(20-2)14(10-12)21-3/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyIGBRZUQLIAKIMY-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.46
Rot. Bonds6

About N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide

N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 2812403) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID2812403
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
SMILESCCc1ccnc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C15H18N2O4S/c1-4-11-7-8-16-15(9-11)17-22(18,19)12-5-6-13(20-2)14(10-12)21-3/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyIGBRZUQLIAKIMY-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 102671955
2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 167946777
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258
3,4-dimethoxy-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 24995120
N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 3256250
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032534
3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 165434224
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 126474230
N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 56725241

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide (CID 2812403) is N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide is CCc1ccnc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is IGBRZUQLIAKIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-4-11-7-8-16-15(9-11)17-22(18,19)12-5-6-13(20-2)14(10-12)21-3/h5-10H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide?
N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2812403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).