4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide

C11H17NO4S — CID 884361

IUPAC4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO4S/c1-9(8-15-2)12-17(13,14)11-6-4-10(16-3)5-7-11/h4-7,9,12H,8H2,1-3H3/t9-/m1/s1
InChIKeyWVRVCSMQNMXXNH-SECBINFHSA-N
MW259.33 g/mol
LogP1.01
Rot. Bonds6

About 4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide

4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide (PubChem CID 884361) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
PubChem CID884361
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO4S/c1-9(8-15-2)12-17(13,14)11-6-4-10(16-3)5-7-11/h4-7,9,12H,8H2,1-3H3/t9-/m1/s1
InChIKeyWVRVCSMQNMXXNH-SECBINFHSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 107110952
N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
CID 106056940
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
N-(4-bromobutan-2-yl)-4-methoxybenzenesulfonamide
CID 83180710
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
4-[(4-methoxyphenyl)methylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide
CID 9282068

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide (CID 884361) is 4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide is COC[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide?
The InChIKey is WVRVCSMQNMXXNH-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-9(8-15-2)12-17(13,14)11-6-4-10(16-3)5-7-11/h4-7,9,12H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of 4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide?
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 884361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).