N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide

About N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide

N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 123566473) has the molecular formula C32H41ClN2O4S2Si and a molecular weight of 645.36 g/mol. Its IUPAC name is N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name	N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID	123566473
Molecular Formula	C32H41ClN2O4S2Si
Molecular Weight	645.36 g/mol
Exact Mass	644.20
IUPAC Name	N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILES	CC(C)(C)S(=O)NC(c1cc2ccccc2n1S(=O)(=O)c1ccccc1)C(O[Si](C)(C)C(C)(C)C)c1cccc(Cl)c1
InChI	InChI=1S/C32H41ClN2O4S2Si/c1-31(2,3)40(36)34-29(30(24-16-14-17-25(33)21-24)39-42(7,8)32(4,5)6)28-22-23-15-12-13-20-27(23)35(28)41(37,38)26-18-10-9-11-19-26/h9-22,29-30,34H,1-8H3
InChIKey	IJKXTAQJNZTNOM-UHFFFAOYSA-N
XLogP	8.39
TPSA	77.40 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.36
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 123566473) is N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(c1cc2ccccc2n1S(=O)(=O)c1ccccc1)C(O[Si](C)(C)C(C)(C)C)c1cccc(Cl)c1.

What is the InChIKey of N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?

The InChIKey is IJKXTAQJNZTNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41ClN2O4S2Si/c1-31(2,3)40(36)34-29(30(24-16-14-17-25(33)21-24)39-42(7,8)32(4,5)6)28-22-23-15-12-13-20-27(23)35(28)41(37,38)26-18-10-9-11-19-26/h9-22,29-30,34H,1-8H3.

What are the key properties of N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?

N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 645.36 g/mol, XLogP of 8.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123566473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).