N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide

C31H35N3O2SSi — CID 10875240

IUPACN-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccc3ccccc3n2)c2cn([Si](C)(C)C(C)(C)C)c3ccccc23)cc1
InChIInChI=1S/C31H35N3O2SSi/c1-22-15-18-24(19-16-22)37(35,36)33-30(28-20-17-23-11-7-9-13-27(23)32-28)26-21-34(38(5,6)31(2,3)4)29-14-10-8-12-25(26)29/h7-21,30,33H,1-6H3
InChIKeyPXYVAWIYUODGDU-UHFFFAOYSA-N
MW541.79 g/mol
LogP7.42
Rot. Bonds6

About N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide

N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide (PubChem CID 10875240) has the molecular formula C31H35N3O2SSi and a molecular weight of 541.79 g/mol. Its IUPAC name is N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide
PubChem CID10875240
Molecular FormulaC31H35N3O2SSi
Molecular Weight541.79 g/mol
Exact Mass541.22
IUPAC NameN-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccc3ccccc3n2)c2cn([Si](C)(C)C(C)(C)C)c3ccccc23)cc1
InChIInChI=1S/C31H35N3O2SSi/c1-22-15-18-24(19-16-22)37(35,36)33-30(28-20-17-23-11-7-9-13-27(23)32-28)26-21-34(38(5,6)31(2,3)4)29-14-10-8-12-25(26)29/h7-21,30,33H,1-6H3
InChIKeyPXYVAWIYUODGDU-UHFFFAOYSA-N
XLogP7.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.79
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-(2-nitrophenyl)methyl]-4-methylbenzenesulfonamide
CID 10896792
4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide
CID 129271456
N-[(4-methylphenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222559
tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane
CID 134865309
2,3-bis[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 139715524
N-[(S)-phenyl(quinolin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 90193251
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 71816821
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-[(1R)-1-(6-bromo-2-pyridinyl)-2,2-dimethylpropyl]-4-methylbenzenesulfonamide
CID 101389491
4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide
CID 134836485

Frequently Asked Questions

What is the IUPAC name of N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide (CID 10875240) is N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccc3ccccc3n2)c2cn([Si](C)(C)C(C)(C)C)c3ccccc23)cc1.
What is the InChIKey of N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide?
The InChIKey is PXYVAWIYUODGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2SSi/c1-22-15-18-24(19-16-22)37(35,36)33-30(28-20-17-23-11-7-9-13-27(23)32-28)26-21-34(38(5,6)31(2,3)4)29-14-10-8-12-25(26)29/h7-21,30,33H,1-6H3.
What are the key properties of N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide?
N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide has a molecular weight of 541.79 g/mol, XLogP of 7.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-quinolin-2-ylmethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10875240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).