2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide

C16H19N3O3S — CID 113009406

IUPAC2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cn1
InChIInChI=1S/C16H19N3O3S/c1-4-9-17-16-8-6-13(11-18-16)19-23(20,21)15-10-12(2)5-7-14(15)22-3/h4-8,10-11,19H,1,9H2,2-3H3,(H,17,18)
InChIKeyVWTFUQSPPKMRER-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.80
Rot. Bonds7

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

2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113009406) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID113009406
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cn1
InChIInChI=1S/C16H19N3O3S/c1-4-9-17-16-8-6-13(11-18-16)19-23(20,21)15-10-12(2)5-7-14(15)22-3/h4-8,10-11,19H,1,9H2,2-3H3,(H,17,18)
InChIKeyVWTFUQSPPKMRER-UHFFFAOYSA-N
XLogP2.80
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.80
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-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009412
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
CID 113023907
2-methoxy-5-methyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]benzenesulfonamide
CID 113023382
2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026561
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113033057
N-[6-(azepan-1-yl)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113015954
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113009417
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide (CID 113009406) is 2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide is C=CCNc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cn1.
What is the InChIKey of 2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is VWTFUQSPPKMRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-4-9-17-16-8-6-13(11-18-16)19-23(20,21)15-10-12(2)5-7-14(15)22-3/h4-8,10-11,19H,1,9H2,2-3H3,(H,17,18).
What are the key properties of 2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113009406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).