N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide

C24H36N2O4S — CID 3715769

IUPACN-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCCCCN(CCCC)CC(O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H36N2O4S/c1-4-6-17-25(18-7-5-2)19-21(27)20-26(23-15-11-12-16-24(23)30-3)31(28,29)22-13-9-8-10-14-22/h8-16,21,27H,4-7,17-20H2,1-3H3
InChIKeyLHNVWMXOLMTWTK-UHFFFAOYSA-N
MW448.63 g/mol
LogP4.15
Rot. Bonds14

About N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide

N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 3715769) has the molecular formula C24H36N2O4S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID3715769
Molecular FormulaC24H36N2O4S
Molecular Weight448.63 g/mol
Exact Mass448.24
IUPAC NameN-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCCCCN(CCCC)CC(O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H36N2O4S/c1-4-6-17-25(18-7-5-2)19-21(27)20-26(23-15-11-12-16-24(23)30-3)31(28,29)22-13-9-8-10-14-22/h8-16,21,27H,4-7,17-20H2,1-3H3
InChIKeyLHNVWMXOLMTWTK-UHFFFAOYSA-N
XLogP4.15
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium
CID 3431498
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 4598465
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium chloride
CID 44657756
N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
CID 3346983
N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3410388
N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 16801172
N-[3-(4-bromo-N-methylsulfonylanilino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 45127373
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-bis(2-methylpropyl)azanium chloride
CID 44657317
N-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 6964073
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3152323
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 1125478
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 6549429

Frequently Asked Questions

What is the IUPAC name of N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 3715769) is N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide is CCCCN(CCCC)CC(O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is LHNVWMXOLMTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4S/c1-4-6-17-25(18-7-5-2)19-21(27)20-26(23-15-11-12-16-24(23)30-3)31(28,29)22-13-9-8-10-14-22/h8-16,21,27H,4-7,17-20H2,1-3H3.
What are the key properties of N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 448.63 g/mol, XLogP of 4.15, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3715769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).