N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide

C16H17NO4S — CID 165430397

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2c3ccccc3CC2O)cc1
InChIInChI=1S/C16H17NO4S/c1-21-12-6-8-13(9-7-12)22(19,20)17-16-14-5-3-2-4-11(14)10-15(16)18/h2-9,15-18H,10H2,1H3
InChIKeyIZOPYGWYMAVPCZ-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.63
Rot. Bonds4

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide (PubChem CID 165430397) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
PubChem CID165430397
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2c3ccccc3CC2O)cc1
InChIInChI=1S/C16H17NO4S/c1-21-12-6-8-13(9-7-12)22(19,20)17-16-14-5-3-2-4-11(14)10-15(16)18/h2-9,15-18H,10H2,1H3
InChIKeyIZOPYGWYMAVPCZ-UHFFFAOYSA-N
XLogP1.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 1450762
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide
CID 103825580
2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 103825572
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 97245674
2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 89047380
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
CID 113240016
(1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 102739063
1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 115969830
1-(ethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 113340144
4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 58290817

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide (CID 165430397) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2c3ccccc3CC2O)cc1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide?
The InChIKey is IZOPYGWYMAVPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-21-12-6-8-13(9-7-12)22(19,20)17-16-14-5-3-2-4-11(14)10-15(16)18/h2-9,15-18H,10H2,1H3.
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 165430397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).