N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide

C20H30ClN5O3SSi — CID 155632646

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NS(=O)(=O)N2CCN(c3ccc(Cl)cn3)CC2)nc1
InChIInChI=1S/C20H30ClN5O3SSi/c1-20(2,3)31(4,5)29-17-7-8-18(22-15-17)24-30(27,28)26-12-10-25(11-13-26)19-9-6-16(21)14-23-19/h6-9,14-15H,10-13H2,1-5H3,(H,22,24)
InChIKeyDAWLKOGVSDGRHD-UHFFFAOYSA-N
MW484.10 g/mol
LogP3.99
Rot. Bonds6

About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide (PubChem CID 155632646) has the molecular formula C20H30ClN5O3SSi and a molecular weight of 484.10 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide
PubChem CID155632646
Molecular FormulaC20H30ClN5O3SSi
Molecular Weight484.10 g/mol
Exact Mass483.15
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NS(=O)(=O)N2CCN(c3ccc(Cl)cn3)CC2)nc1
InChIInChI=1S/C20H30ClN5O3SSi/c1-20(2,3)31(4,5)29-17-7-8-18(22-15-17)24-30(27,28)26-12-10-25(11-13-26)19-9-6-16(21)14-23-19/h6-9,14-15H,10-13H2,1-5H3,(H,22,24)
InChIKeyDAWLKOGVSDGRHD-UHFFFAOYSA-N
XLogP3.99
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.10
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide (CID 155632646) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide is CC(C)(C)[Si](C)(C)Oc1ccc(NS(=O)(=O)N2CCN(c3ccc(Cl)cn3)CC2)nc1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide?
The InChIKey is DAWLKOGVSDGRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN5O3SSi/c1-20(2,3)31(4,5)29-17-7-8-18(22-15-17)24-30(27,28)26-12-10-25(11-13-26)19-9-6-16(21)14-23-19/h6-9,14-15H,10-13H2,1-5H3,(H,22,24).
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide has a molecular weight of 484.10 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(5-chloro-2-pyridinyl)piperazine-1-sulfonamide is sourced from PubChem (CID 155632646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).