2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide

C25H29Cl2NO4SSi — CID 139840631

IUPAC2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide
SMILESCC(O[Si](C)(C)C)C(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29Cl2NO4SSi/c1-18(32-34(2,3)4)24(28-33(30,31)23-17-21(26)15-16-22(23)27)25(29,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,24,28-29H,1-4H3
InChIKeyYRRKRZBSMYJZQW-UHFFFAOYSA-N
MW538.57 g/mol
LogP5.82
Rot. Bonds9

About 2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide

2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide (PubChem CID 139840631) has the molecular formula C25H29Cl2NO4SSi and a molecular weight of 538.57 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide
PubChem CID139840631
Molecular FormulaC25H29Cl2NO4SSi
Molecular Weight538.57 g/mol
Exact Mass537.10
IUPAC Name2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide
SMILESCC(O[Si](C)(C)C)C(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29Cl2NO4SSi/c1-18(32-34(2,3)4)24(28-33(30,31)23-17-21(26)15-16-22(23)27)25(29,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,24,28-29H,1-4H3
InChIKeyYRRKRZBSMYJZQW-UHFFFAOYSA-N
XLogP5.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.57
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide with MolForge

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Related Compounds

N-[3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-1,1-diphenylbutan-2-yl]naphthalene-1-sulfonamide
CID 139840624
N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1,1-diphenylbutan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 139840623
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 71563429
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
N-(2-bromo-1-phenylethyl)-2,5-dichlorobenzenesulfonamide
CID 114296882
2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 92646276
2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707601
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide (CID 139840631) is 2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide is CC(O[Si](C)(C)C)C(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide?
The InChIKey is YRRKRZBSMYJZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2NO4SSi/c1-18(32-34(2,3)4)24(28-33(30,31)23-17-21(26)15-16-22(23)27)25(29,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,24,28-29H,1-4H3.
What are the key properties of 2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide?
2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide has a molecular weight of 538.57 g/mol, XLogP of 5.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-hydroxy-1,1-diphenyl-3-trimethylsilyloxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 139840631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).