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

C18H21NO3S — CID 91631208

IUPACN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C18H21NO3S/c20-18(12-16-8-4-5-9-17(16)13-18)14-19-23(21,22)11-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2
InChIKeyNXWCMMLKOBDLNX-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.68
Rot. Bonds6

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

N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide (PubChem CID 91631208) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide
PubChem CID91631208
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C18H21NO3S/c20-18(12-16-8-4-5-9-17(16)13-18)14-19-23(21,22)11-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2
InChIKeyNXWCMMLKOBDLNX-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-phenylethanesulfonamide
CID 146080431
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71803616
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide
CID 97355232
N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride
CID 119958854
1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide
CID 71803605
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110626462
2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide
CID 91631214
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide
CID 91939423
2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide
CID 146078875
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
2-phenyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]ethanesulfonamide
CID 30943250
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide (CID 91631208) is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC1(O)Cc2ccccc2C1.
What is the InChIKey of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide?
The InChIKey is NXWCMMLKOBDLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c20-18(12-16-8-4-5-9-17(16)13-18)14-19-23(21,22)11-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2.
What are the key properties of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide?
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 91631208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).