N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide

C20H26N2O5S — CID 1125478

IUPACN-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-26-20-10-6-5-9-19(20)22(28(24,25)18-7-3-2-4-8-18)16-17(23)15-21-11-13-27-14-12-21/h2-10,17,23H,11-16H2,1H3/t17-/m1/s1
InChIKeyAYNHTXGVUXIKLZ-QGZVFWFLSA-N
MW406.50 g/mol
LogP1.58
Rot. Bonds8

About N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide

N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 1125478) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID1125478
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-26-20-10-6-5-9-19(20)22(28(24,25)18-7-3-2-4-8-18)16-17(23)15-21-11-13-27-14-12-21/h2-10,17,23H,11-16H2,1H3/t17-/m1/s1
InChIKeyAYNHTXGVUXIKLZ-QGZVFWFLSA-N
XLogP1.58
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3152323
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 6549429
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylbenzenesulfonamide
CID 3133092
N-[(2R)-3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 95389641
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium
CID 3431498
N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 1125517
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium chloride
CID 44657756
N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 1149874
N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 1367443
N-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 6964073
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 4598465
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1077010

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 1125478) is N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1N(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is AYNHTXGVUXIKLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-26-20-10-6-5-9-19(20)22(28(24,25)18-7-3-2-4-8-18)16-17(23)15-21-11-13-27-14-12-21/h2-10,17,23H,11-16H2,1H3/t17-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide?
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1125478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).