N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide

C17H19NO3S — CID 90875893

IUPACN-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H19NO3S/c1-22(19,20)18-12-13-4-2-7-16(10-13)21-17-9-8-14-5-3-6-15(14)11-17/h2,4,7-11,18H,3,5-6,12H2,1H3
InChIKeyKDIQFWDCYUNAOP-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.02
Rot. Bonds5

About N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide

N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide (PubChem CID 90875893) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide
PubChem CID90875893
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H19NO3S/c1-22(19,20)18-12-13-4-2-7-16(10-13)21-17-9-8-14-5-3-6-15(14)11-17/h2,4,7-11,18H,3,5-6,12H2,1H3
InChIKeyKDIQFWDCYUNAOP-UHFFFAOYSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]-N-methylmethanamine
CID 63942120
1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine
CID 63942350
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide
CID 110780394
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531226
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 110780390
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 28946173
N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide
CID 56787557
N-[(3-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235704
[3-(methanesulfonamidomethyl)phenyl]-methyl-oxoazanium
CID 123326478
N-[(3-nitrosophenyl)methyl]methanesulfonamide
CID 123247228

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide (CID 90875893) is N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cccc(Oc2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide?
The InChIKey is KDIQFWDCYUNAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-22(19,20)18-12-13-4-2-7-16(10-13)21-17-9-8-14-5-3-6-15(14)11-17/h2,4,7-11,18H,3,5-6,12H2,1H3.
What are the key properties of N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide?
N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 90875893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).