N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide

C16H22N4O2S — CID 113010994

IUPACN-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
SMILESCN(C)CCCNc1ccc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C16H22N4O2S/c1-20(2)12-6-11-17-16-10-9-14(13-18-16)19-23(21,22)15-7-4-3-5-8-15/h3-5,7-10,13,19H,6,11-12H2,1-2H3,(H,17,18)
InChIKeyYJLBMFVFHLQHFL-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.25
Rot. Bonds8

About N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide

N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide (PubChem CID 113010994) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
PubChem CID113010994
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
SMILESCN(C)CCCNc1ccc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C16H22N4O2S/c1-20(2)12-6-11-17-16-10-9-14(13-18-16)19-23(21,22)15-7-4-3-5-8-15/h3-5,7-10,13,19H,6,11-12H2,1-2H3,(H,17,18)
InChIKeyYJLBMFVFHLQHFL-UHFFFAOYSA-N
XLogP2.25
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.25
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-[3-(dimethylamino)propylamino]-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113010999
N-[6-(ethylamino)-3-pyridinyl]benzenesulfonamide
CID 71038447
N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
CID 113010392
N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113029860
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide
CID 113025774
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113010814
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010801
3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113010810
3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
CID 113015298
4-tert-butyl-N-[4-[3-(dimethylamino)propylamino]phenyl]benzenesulfonamide
CID 112981608
N-[5-(benzenesulfonamido)-2-pyridinyl]acetamide
CID 71056015
N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113010523

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide (CID 113010994) is N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide is CN(C)CCCNc1ccc(NS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide?
The InChIKey is YJLBMFVFHLQHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-20(2)12-6-11-17-16-10-9-14(13-18-16)19-23(21,22)15-7-4-3-5-8-15/h3-5,7-10,13,19H,6,11-12H2,1-2H3,(H,17,18).
What are the key properties of N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide?
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113010994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).