N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide

C18H25N3O3S — CID 113015745

IUPACN-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cn1
InChIInChI=1S/C18H25N3O3S/c1-4-12-21(13-5-2)18-11-6-15(14-19-18)20-25(22,23)17-9-7-16(24-3)8-10-17/h6-11,14,20H,4-5,12-13H2,1-3H3
InChIKeyMIIUAIAOEXLPDA-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.52
Rot. Bonds9

About N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide

N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 113015745) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID113015745
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cn1
InChIInChI=1S/C18H25N3O3S/c1-4-12-21(13-5-2)18-11-6-15(14-19-18)20-25(22,23)17-9-7-16(24-3)8-10-17/h6-11,14,20H,4-5,12-13H2,1-3H3
InChIKeyMIIUAIAOEXLPDA-UHFFFAOYSA-N
XLogP3.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(dipropylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941919
N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015764
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 171152815
N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 2187490
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide
CID 113015435
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943
4-methoxy-N-phenylbenzenesulfonamide
CID 835273

Frequently Asked Questions

What is the IUPAC name of N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide (CID 113015745) is N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide is CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cn1.
What is the InChIKey of N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is MIIUAIAOEXLPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-12-21(13-5-2)18-11-6-15(14-19-18)20-25(22,23)17-9-7-16(24-3)8-10-17/h6-11,14,20H,4-5,12-13H2,1-3H3.
What are the key properties of N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113015745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).