N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide

C16H19NO5S — CID 6930429

IUPACN-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
SMILESCOc1ccc(OC[C@H](O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO5S/c1-21-14-7-9-15(10-8-14)22-12-13(18)11-17-23(19,20)16-5-3-2-4-6-16/h2-10,13,17-18H,11-12H2,1H3/t13-/m1/s1
InChIKeyKUKKRTHRYYMLKR-CYBMUJFWSA-N
MW337.40 g/mol
LogP1.41
Rot. Bonds8

About N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide

N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide (PubChem CID 6930429) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
PubChem CID6930429
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC NameN-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
SMILESCOc1ccc(OC[C@H](O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO5S/c1-21-14-7-9-15(10-8-14)22-12-13(18)11-17-23(19,20)16-5-3-2-4-6-16/h2-10,13,17-18H,11-12H2,1H3/t13-/m1/s1
InChIKeyKUKKRTHRYYMLKR-CYBMUJFWSA-N
XLogP1.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide
CID 166232814
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide
CID 6930511
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 2812612
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
N-[(2R)-2-hydroxy-3-[4-(methylamino)phenoxy]propyl]-4-methylbenzenesulfonamide
CID 41476250
2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide
CID 6975848
4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]benzenesulfonamide
CID 1300823
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6975865
2-[[(2S)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]sulfamoyl]benzoic acid
CID 40591803
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
N-(2-chloro-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 45101977

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide (CID 6930429) is N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide is COc1ccc(OC[C@H](O)CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
The InChIKey is KUKKRTHRYYMLKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-21-14-7-9-15(10-8-14)22-12-13(18)11-17-23(19,20)16-5-3-2-4-6-16/h2-10,13,17-18H,11-12H2,1H3/t13-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 6930429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).