2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide

C17H21N3O3S — CID 113009412

IUPAC2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cn1
InChIInChI=1S/C17H21N3O3S/c1-5-8-18-17-7-6-14(11-19-17)20-24(21,22)16-10-13(3)12(2)9-15(16)23-4/h5-7,9-11,20H,1,8H2,2-4H3,(H,18,19)
InChIKeyNYUKUUWJXIMNSR-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.11
Rot. Bonds7

About 2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113009412) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID113009412
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cn1
InChIInChI=1S/C17H21N3O3S/c1-5-8-18-17-7-6-14(11-19-17)20-24(21,22)16-10-13(3)12(2)9-15(16)23-4/h5-7,9-11,20H,1,8H2,2-4H3,(H,18,19)
InChIKeyNYUKUUWJXIMNSR-UHFFFAOYSA-N
XLogP3.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009406
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113009809
2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113024189
2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
CID 113023907
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719
5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113009417
4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113025121
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010801
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113025801
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide (CID 113009412) is 2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide is C=CCNc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cn1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is NYUKUUWJXIMNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-5-8-18-17-7-6-14(11-19-17)20-24(21,22)16-10-13(3)12(2)9-15(16)23-4/h5-7,9-11,20H,1,8H2,2-4H3,(H,18,19).
What are the key properties of 2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113009412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).