N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide

C19H23NO3S — CID 90499106

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2(O)CCc3ccccc32)cc1
InChIInChI=1S/C19H23NO3S/c1-2-5-15-8-10-17(11-9-15)24(22,23)20-14-19(21)13-12-16-6-3-4-7-18(16)19/h3-4,6-11,20-21H,2,5,12-14H2,1H3
InChIKeyGYNKPVLLIRHKRM-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.75
Rot. Bonds6

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide (PubChem CID 90499106) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide
PubChem CID90499106
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2(O)CCc3ccccc32)cc1
InChIInChI=1S/C19H23NO3S/c1-2-5-15-8-10-17(11-9-15)24(22,23)20-14-19(21)13-12-16-6-3-4-7-18(16)19/h3-4,6-11,20-21H,2,5,12-14H2,1H3
InChIKeyGYNKPVLLIRHKRM-UHFFFAOYSA-N
XLogP2.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide
CID 95983148
methyl 4-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methylsulfamoyl]benzoate
CID 95986142
3-acetyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
CID 90499105
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzenesulfonamide
CID 90499095
2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
CID 71782180
N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 97075661
N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
CID 43598214
1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide
CID 95983164
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 71782189
5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63406667
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
1-[[2-(benzenesulfonyl)ethylamino]methyl]-2,3-dihydroinden-1-ol
CID 167819066

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide (CID 90499106) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC2(O)CCc3ccccc32)cc1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide?
The InChIKey is GYNKPVLLIRHKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-2-5-15-8-10-17(11-9-15)24(22,23)20-14-19(21)13-12-16-6-3-4-7-18(16)19/h3-4,6-11,20-21H,2,5,12-14H2,1H3.
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 90499106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).