N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium

C30H28N2O2RuS — CID 87738093

IUPACN-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
SMILESN[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.[Ru].c1ccccc1
InChIInChI=1S/C24H22N2O2S.C6H6.Ru/c25-23(19-10-3-1-4-11-19)24(20-12-5-2-6-13-20)26-29(27,28)22-16-15-18-9-7-8-14-21(18)17-22;1-2-4-6-5-3-1;/h1-17,23-24,26H,25H2;1-6H;/t23-,24-;;/m1../s1
InChIKeyRKPQDSFYEHYGGO-NILKIKDOSA-N
MW581.70 g/mol
LogP6.24
Rot. Bonds6

About N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium

N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium (PubChem CID 87738093) has the molecular formula C30H28N2O2RuS and a molecular weight of 581.70 g/mol. Its IUPAC name is N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium.

Molecular Properties

Compound NameN-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
PubChem CID87738093
Molecular FormulaC30H28N2O2RuS
Molecular Weight581.70 g/mol
Exact Mass582.09
IUPAC NameN-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
SMILESN[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.[Ru].c1ccccc1
InChIInChI=1S/C24H22N2O2S.C6H6.Ru/c25-23(19-10-3-1-4-11-19)24(20-12-5-2-6-13-20)26-29(27,28)22-16-15-18-9-7-8-14-21(18)17-22;1-2-4-6-5-3-1;/h1-17,23-24,26H,25H2;1-6H;/t23-,24-;;/m1../s1
InChIKeyRKPQDSFYEHYGGO-NILKIKDOSA-N
XLogP6.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.70
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis[(1R,2R)-2-amino-1,2-diphenylethyl]benzene-1,3-disulfonamide
CID 122371745
4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide
CID 89035973
4-[[(1S,2S)-2-amino-1,2-diphenylethyl]sulfamoyl]benzenesulfonic acid
CID 58915462
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
N-(2-amino-1,2-diphenylethyl)-1-naphthalen-2-ylmethanesulfonamide
CID 59537514
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide
CID 23020097
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738229
5-[[(1R,2R)-2-amino-1,2-diphenylethyl]sulfamoyl]-2-sulfobenzoic acid
CID 58915465

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium?
The IUPAC name of N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium (CID 87738093) is N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium.
What is the SMILES notation for N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium?
The canonical SMILES for N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium is N[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.[Ru].c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium?
The InChIKey is RKPQDSFYEHYGGO-NILKIKDOSA-N. The full InChI is InChI=1S/C24H22N2O2S.C6H6.Ru/c25-23(19-10-3-1-4-11-19)24(20-12-5-2-6-13-20)26-29(27,28)22-16-15-18-9-7-8-14-21(18)17-22;1-2-4-6-5-3-1;/h1-17,23-24,26H,25H2;1-6H;/t23-,24-;;/m1../s1.
What are the key properties of N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium?
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium has a molecular weight of 581.70 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium is sourced from PubChem (CID 87738093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).