N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide

C19H25NO5S — CID 96999670

IUPACN-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC[C@H](CO)Cc2ccccc2)cc1
InChIInChI=1S/C19H25NO5S/c1-24-11-12-25-18-7-9-19(10-8-18)26(22,23)20-14-17(15-21)13-16-5-3-2-4-6-16/h2-10,17,20-21H,11-15H2,1H3/t17-/m1/s1
InChIKeyUGMWILHIWPFDBV-QGZVFWFLSA-N
MW379.48 g/mol
LogP1.84
Rot. Bonds11

About N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide

N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 96999670) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID96999670
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC NameN-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC[C@H](CO)Cc2ccccc2)cc1
InChIInChI=1S/C19H25NO5S/c1-24-11-12-25-18-7-9-19(10-8-18)26(22,23)20-14-17(15-21)13-16-5-3-2-4-6-16/h2-10,17,20-21H,11-15H2,1H3/t17-/m1/s1
InChIKeyUGMWILHIWPFDBV-QGZVFWFLSA-N
XLogP1.84
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.84
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-(2-benzyl-3-hydroxypropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 71846532
methyl 4-[[(2S)-2-benzyl-3-hydroxypropyl]sulfamoyl]benzoate
CID 96999453
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35295897
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598879
N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide
CID 51169603
4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62664978
N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115747265
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449
2-methoxy-3-[(4-propoxyphenyl)sulfonylamino]propanoic acid
CID 104936715
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 43062063
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide (CID 96999670) is N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NC[C@H](CO)Cc2ccccc2)cc1.
What is the InChIKey of N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is UGMWILHIWPFDBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-24-11-12-25-18-7-9-19(10-8-18)26(22,23)20-14-17(15-21)13-16-5-3-2-4-6-16/h2-10,17,20-21H,11-15H2,1H3/t17-/m1/s1.
What are the key properties of N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide?
N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 1.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-benzyl-3-hydroxypropyl]-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 96999670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).