3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide

C17H23N3O2S — CID 113015298

IUPAC3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2cccc(C)c2)cn1
InChIInChI=1S/C17H23N3O2S/c1-3-4-5-11-18-17-10-9-15(13-19-17)20-23(21,22)16-8-6-7-14(2)12-16/h6-10,12-13,20H,3-5,11H2,1-2H3,(H,18,19)
InChIKeyUEMVCMJMCQDAMT-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.79
Rot. Bonds8

About 3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide

3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113015298) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID113015298
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2cccc(C)c2)cn1
InChIInChI=1S/C17H23N3O2S/c1-3-4-5-11-18-17-10-9-15(13-19-17)20-23(21,22)16-8-6-7-14(2)12-16/h6-10,12-13,20H,3-5,11H2,1-2H3,(H,18,19)
InChIKeyUEMVCMJMCQDAMT-UHFFFAOYSA-N
XLogP3.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113018175
N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030068
N-[6-(butylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113009531
N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113019654
N-[6-(butylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009544
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide
CID 113009140
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113028450
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
CID 113010994
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113010999
N-[6-(ethylamino)-3-pyridinyl]benzenesulfonamide
CID 71038447
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide (CID 113015298) is 3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide is CCCCCNc1ccc(NS(=O)(=O)c2cccc(C)c2)cn1.
What is the InChIKey of 3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is UEMVCMJMCQDAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-4-5-11-18-17-10-9-15(13-19-17)20-23(21,22)16-8-6-7-14(2)12-16/h6-10,12-13,20H,3-5,11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide?
3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113015298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).