4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide

C16H21N3O4S — CID 113010409

IUPAC4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(OC)cc2C)cn1
InChIInChI=1S/C16H21N3O4S/c1-12-10-14(23-3)5-6-15(12)24(20,21)19-13-4-7-16(18-11-13)17-8-9-22-2/h4-7,10-11,19H,8-9H2,1-3H3,(H,17,18)
InChIKeyQEKOEIPKRPVUPA-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.26
Rot. Bonds8

About 4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide

4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 113010409) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID113010409
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(OC)cc2C)cn1
InChIInChI=1S/C16H21N3O4S/c1-12-10-14(23-3)5-6-15(12)24(20,21)19-13-4-7-16(18-11-13)17-8-9-22-2/h4-7,10-11,19H,8-9H2,1-3H3,(H,17,18)
InChIKeyQEKOEIPKRPVUPA-UHFFFAOYSA-N
XLogP2.26
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113025121
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010801
N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
CID 113010392
N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113022826
5-chloro-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010420
5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010432
N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113010523
N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113010431
N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113029763
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide (CID 113010409) is 4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide is COCCNc1ccc(NS(=O)(=O)c2ccc(OC)cc2C)cn1.
What is the InChIKey of 4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is QEKOEIPKRPVUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-12-10-14(23-3)5-6-15(12)24(20,21)19-13-4-7-16(18-11-13)17-8-9-22-2/h4-7,10-11,19H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide?
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113010409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).