1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+)

C25H29ClN2O3RuS+2 — CID 175808333

IUPAC1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+)
SMILESCc1ccc(COCCN[C@H](c2ccccc2)[C@H](NS(=O)(=O)CCl)c2ccccc2)cc1.[Ru+2]
InChIInChI=1S/C25H29ClN2O3S.Ru/c1-20-12-14-21(15-13-20)18-31-17-16-27-24(22-8-4-2-5-9-22)25(28-32(29,30)19-26)23-10-6-3-7-11-23;/h2-15,24-25,27-28H,16-19H2,1H3;/q;+2/t24-,25-;/m1./s1
InChIKeyMATUIGFHMCDHES-JIMLSGQQSA-N
MW574.11 g/mol
LogP4.70
Rot. Bonds12

About 1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+)

1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+) (PubChem CID 175808333) has the molecular formula C25H29ClN2O3RuS+2 and a molecular weight of 574.11 g/mol. Its IUPAC name is 1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+).

Molecular Properties

Compound Name1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+)
PubChem CID175808333
Molecular FormulaC25H29ClN2O3RuS+2
Molecular Weight574.11 g/mol
Exact Mass574.06
IUPAC Name1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+)
SMILESCc1ccc(COCCN[C@H](c2ccccc2)[C@H](NS(=O)(=O)CCl)c2ccccc2)cc1.[Ru+2]
InChIInChI=1S/C25H29ClN2O3S.Ru/c1-20-12-14-21(15-13-20)18-31-17-16-27-24(22-8-4-2-5-9-22)25(28-32(29,30)19-26)23-10-6-3-7-11-23;/h2-15,24-25,27-28H,16-19H2,1H3;/q;+2/t24-,25-;/m1./s1
InChIKeyMATUIGFHMCDHES-JIMLSGQQSA-N
XLogP4.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.11
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-methyl-N-[2-[2-[(4-methylcyclohexa-1,3-dien-1-yl)methoxy]ethylamino]-1,2-diphenylethyl]benzenesulfonamide
CID 153496176
carbanide;chlororuthenium(3+);N-[(1S,2S)-2-[2-[(4-methylcyclohexa-1,4-dien-1-yl)methoxy]ethylamino]-1,2-diphenylethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide;[(1S,2S)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide
CID 161099840
N-[(1R,2R)-2-[3-(4-methoxyphenyl)propylamino]-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 102106512
N-benzhydryl-1-chloromethanesulfonamide
CID 63664660
2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide
CID 131007900
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
N-[(1R,2R)-2-[3-(3,5-dimethoxyphenyl)propylamino]-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 90152510
2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol
CID 110878023
(2R)-1-(benzenesulfonyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 97258678
(2S)-1-(benzenesulfonyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 97258677
N-[(1R,2S)-2-[3-(4-hex-5-ynoxyphenyl)propylamino]-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 118434134
carbanide;chlororuthenium(3+);[2-[2-(cyclohexa-1,3-dien-1-ylmethoxy)ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide
CID 153496191

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+)?
The IUPAC name of 1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+) (CID 175808333) is 1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+).
What is the SMILES notation for 1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+)?
The canonical SMILES for 1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+) is Cc1ccc(COCCN[C@H](c2ccccc2)[C@H](NS(=O)(=O)CCl)c2ccccc2)cc1.[Ru+2].
What is the InChIKey of 1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+)?
The InChIKey is MATUIGFHMCDHES-JIMLSGQQSA-N. The full InChI is InChI=1S/C25H29ClN2O3S.Ru/c1-20-12-14-21(15-13-20)18-31-17-16-27-24(22-8-4-2-5-9-22)25(28-32(29,30)19-26)23-10-6-3-7-11-23;/h2-15,24-25,27-28H,16-19H2,1H3;/q;+2/t24-,25-;/m1./s1.
What are the key properties of 1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+)?
1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+) has a molecular weight of 574.11 g/mol, XLogP of 4.70, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]methanesulfonamide;ruthenium(2+) is sourced from PubChem (CID 175808333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).