4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide

C16H17NO3S — CID 43436560

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2ccc3c(c2)CCC3)ccc1S(N)(=O)=O
InChIInChI=1S/C16H17NO3S/c1-11-9-14(7-8-16(11)21(17,18)19)20-15-6-5-12-3-2-4-13(12)10-15/h5-10H,2-4H2,1H3,(H2,17,18,19)
InChIKeyZDCXBJARNRYZDE-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.92
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide

4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide (PubChem CID 43436560) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide
PubChem CID43436560
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2ccc3c(c2)CCC3)ccc1S(N)(=O)=O
InChIInChI=1S/C16H17NO3S/c1-11-9-14(7-8-16(11)21(17,18)19)20-15-6-5-12-3-2-4-13(12)10-15/h5-10H,2-4H2,1H3,(H2,17,18,19)
InChIKeyZDCXBJARNRYZDE-UHFFFAOYSA-N
XLogP2.92
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
4-(4-cyanophenoxy)-2-methylbenzenesulfonamide
CID 43436544
[4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylphenyl]methanol
CID 62134379
4-(3-ethoxyphenoxy)-2-methylbenzenesulfonamide
CID 62337650
4-(2-methoxyphenoxy)-2-methylbenzenesulfonamide
CID 43436547
4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide
CID 63985143
4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide
CID 43436524
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141062
4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide
CID 43436555
2,3-dihydro-1H-inden-5-yl 4,5-dimethoxy-2-methylbenzenesulfonate
CID 46595798
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline
CID 112648458
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 57051000

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide (CID 43436560) is 4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide is Cc1cc(Oc2ccc3c(c2)CCC3)ccc1S(N)(=O)=O.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide?
The InChIKey is ZDCXBJARNRYZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-9-14(7-8-16(11)21(17,18)19)20-15-6-5-12-3-2-4-13(12)10-15/h5-10H,2-4H2,1H3,(H2,17,18,19).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide?
4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43436560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).