N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

C17H23N3O3S — CID 113010403

IUPACN-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H23N3O3S/c1-13(2)14-4-7-16(8-5-14)24(21,22)20-15-6-9-17(19-12-15)18-10-11-23-3/h4-9,12-13,20H,10-11H2,1-3H3,(H,18,19)
InChIKeyQFOFMLRUALHPDK-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.06
Rot. Bonds8

About N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 113010403) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID113010403
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H23N3O3S/c1-13(2)14-4-7-16(8-5-14)24(21,22)20-15-6-9-17(19-12-15)18-10-11-23-3/h4-9,12-13,20H,10-11H2,1-3H3,(H,18,19)
InChIKeyQFOFMLRUALHPDK-UHFFFAOYSA-N
XLogP3.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
CID 113010392
N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113010523
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
5-chloro-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010420
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010432
N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113010431
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113022925
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015172

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (CID 113010403) is N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is COCCNc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cn1.
What is the InChIKey of N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is QFOFMLRUALHPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13(2)14-4-7-16(8-5-14)24(21,22)20-15-6-9-17(19-12-15)18-10-11-23-3/h4-9,12-13,20H,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113010403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).