N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide

C21H25ClN4O3SSi — CID 156680998

IUPACN-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide
SMILESCC(C)(C)[Si](C)(C)c1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(Cl)n2)n1
InChIInChI=1S/C21H25ClN4O3SSi/c1-21(2,3)31(4,5)18-13-14-26(24-18)17-12-11-16(19(22)23-17)20(27)25-30(28,29)15-9-7-6-8-10-15/h6-14H,1-5H3,(H,25,27)
InChIKeyPWVSJTSAIOYKGV-UHFFFAOYSA-N
MW477.06 g/mol
LogP3.75
Rot. Bonds5

About N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide

N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide (PubChem CID 156680998) has the molecular formula C21H25ClN4O3SSi and a molecular weight of 477.06 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide
PubChem CID156680998
Molecular FormulaC21H25ClN4O3SSi
Molecular Weight477.06 g/mol
Exact Mass476.11
IUPAC NameN-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide
SMILESCC(C)(C)[Si](C)(C)c1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(Cl)n2)n1
InChIInChI=1S/C21H25ClN4O3SSi/c1-21(2,3)31(4,5)18-13-14-26(24-18)17-12-11-16(19(22)23-17)20(27)25-30(28,29)15-9-7-6-8-10-15/h6-14H,1-5H3,(H,25,27)
InChIKeyPWVSJTSAIOYKGV-UHFFFAOYSA-N
XLogP3.75
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.06
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide
CID 134398714
tert-butyl 6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxylate
CID 153351097
N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide
CID 134393536
N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 160837808
N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
CID 134393571
N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide
CID 156680988
6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
CID 155784147
4-[[2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylic acid
CID 152533956
2-chloro-N-(2-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134398827
2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 159154837
2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
CID 134599464
2-chloro-6-[3-(dispiro[2.0.24.13]heptan-7-ylmethoxy)pyrazol-1-yl]-N-(2-methylphenyl)sulfonylpyridine-3-carboxamide
CID 134393481

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide (CID 156680998) is N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide is CC(C)(C)[Si](C)(C)c1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(Cl)n2)n1.
What is the InChIKey of N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide?
The InChIKey is PWVSJTSAIOYKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3SSi/c1-21(2,3)31(4,5)18-13-14-26(24-18)17-12-11-16(19(22)23-17)20(27)25-30(28,29)15-9-7-6-8-10-15/h6-14H,1-5H3,(H,25,27).
What are the key properties of N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide?
N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide has a molecular weight of 477.06 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 156680998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).