benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane

C27H31NO2SSi — CID 102144523

IUPACbenzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane
SMILESCc1ccc(S(=O)(=O)N2CCc3cc([Si](C)(C)Cc4ccccc4)c4c(c32)CCC4)cc1
InChIInChI=1S/C27H31NO2SSi/c1-20-12-14-23(15-13-20)31(29,30)28-17-16-22-18-26(24-10-7-11-25(24)27(22)28)32(2,3)19-21-8-5-4-6-9-21/h4-6,8-9,12-15,18H,7,10-11,16-17,19H2,1-3H3
InChIKeyMZBBLOMHMSFZHT-UHFFFAOYSA-N
MW461.70 g/mol
LogP4.93
Rot. Bonds5

About benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane

benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane (PubChem CID 102144523) has the molecular formula C27H31NO2SSi and a molecular weight of 461.70 g/mol. Its IUPAC name is benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane.

Molecular Properties

Compound Namebenzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane
PubChem CID102144523
Molecular FormulaC27H31NO2SSi
Molecular Weight461.70 g/mol
Exact Mass461.18
IUPAC Namebenzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane
SMILESCc1ccc(S(=O)(=O)N2CCc3cc([Si](C)(C)Cc4ccccc4)c4c(c32)CCC4)cc1
InChIInChI=1S/C27H31NO2SSi/c1-20-12-14-23(15-13-20)31(29,30)28-17-16-22-18-26(24-10-7-11-25(24)27(22)28)32(2,3)19-21-8-5-4-6-9-21/h4-6,8-9,12-15,18H,7,10-11,16-17,19H2,1-3H3
InChIKeyMZBBLOMHMSFZHT-UHFFFAOYSA-N
XLogP4.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.70
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboxylate
CID 102524464
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841
(NE)-N-[2-benzhydrylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]hydroxylamine
CID 139095900
2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine
CID 14916960
1-(4-methylphenyl)sulfonyl-2-propan-2-ylideneazetidine
CID 101424960
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
CID 114456013
4-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carbonyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133158870
7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine
CID 130249292

Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane?
The IUPAC name of benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane (CID 102144523) is benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane.
What is the SMILES notation for benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane?
The canonical SMILES for benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane is Cc1ccc(S(=O)(=O)N2CCc3cc([Si](C)(C)Cc4ccccc4)c4c(c32)CCC4)cc1.
What is the InChIKey of benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane?
The InChIKey is MZBBLOMHMSFZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2SSi/c1-20-12-14-23(15-13-20)31(29,30)28-17-16-22-18-26(24-10-7-11-25(24)27(22)28)32(2,3)19-21-8-5-4-6-9-21/h4-6,8-9,12-15,18H,7,10-11,16-17,19H2,1-3H3.
What are the key properties of benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane?
benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane has a molecular weight of 461.70 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-[1-(4-methylphenyl)sulfonyl-3,6,7,8-tetrahydro-2H-cyclopenta[g]indol-5-yl]silane is sourced from PubChem (CID 102144523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).