N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide

C24H28N2O6S2 — CID 16801172

IUPACN-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(O)CN(c1ccc(C)cc1)S(C)(=O)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H28N2O6S2/c1-19-13-15-20(16-14-19)25(33(3,28)29)17-21(27)18-26(23-11-7-8-12-24(23)32-2)34(30,31)22-9-5-4-6-10-22/h4-16,21,27H,17-18H2,1-3H3
InChIKeyBGLUTERAECAOLP-UHFFFAOYSA-N
MW504.63 g/mol
LogP3.03
Rot. Bonds10

About N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide

N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 16801172) has the molecular formula C24H28N2O6S2 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID16801172
Molecular FormulaC24H28N2O6S2
Molecular Weight504.63 g/mol
Exact Mass504.14
IUPAC NameN-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(O)CN(c1ccc(C)cc1)S(C)(=O)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H28N2O6S2/c1-19-13-15-20(16-14-19)25(33(3,28)29)17-21(27)18-26(23-11-7-8-12-24(23)32-2)34(30,31)22-9-5-4-6-10-22/h4-16,21,27H,17-18H2,1-3H3
InChIKeyBGLUTERAECAOLP-UHFFFAOYSA-N
XLogP3.03
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-bromo-N-methylsulfonylanilino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 45127373
[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]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3715769
N-[3-(dimethylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide chloride
CID 53313632
N-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 6964073
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-bis(2-methylpropyl)azanium chloride
CID 44657317
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 2884140
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3152323
N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 71573643
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 1125478

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 16801172) is N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1N(CC(O)CN(c1ccc(C)cc1)S(C)(=O)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is BGLUTERAECAOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6S2/c1-19-13-15-20(16-14-19)25(33(3,28)29)17-21(27)18-26(23-11-7-8-12-24(23)32-2)34(30,31)22-9-5-4-6-10-22/h4-16,21,27H,17-18H2,1-3H3.
What are the key properties of N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 504.63 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 16801172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).