N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide

C16H21N3O3S — CID 113010523

IUPACN-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C16H21N3O3S/c1-13-4-7-15(8-5-13)23(20,21)19-14-6-9-16(18-12-14)17-10-3-11-22-2/h4-9,12,19H,3,10-11H2,1-2H3,(H,17,18)
InChIKeyYIMSRNHRYHOONZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.64
Rot. Bonds8

About N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide

N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 113010523) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID113010523
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C16H21N3O3S/c1-13-4-7-15(8-5-13)23(20,21)19-14-6-9-16(18-12-14)17-10-3-11-22-2/h4-9,12,19H,3,10-11H2,1-2H3,(H,17,18)
InChIKeyYIMSRNHRYHOONZ-UHFFFAOYSA-N
XLogP2.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.64
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-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113012405
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
CID 113010994
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113010999
3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
CID 113015298
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981139
N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113010431

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide (CID 113010523) is N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide is COCCCNc1ccc(NS(=O)(=O)c2ccc(C)cc2)cn1.
What is the InChIKey of N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is YIMSRNHRYHOONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-13-4-7-15(8-5-13)23(20,21)19-14-6-9-16(18-12-14)17-10-3-11-22-2/h4-9,12,19H,3,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide?
N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113010523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).