2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C21H18N2O2S — CID 16582503

IUPAC2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C21H18N2O2S/c24-26(25,17-10-9-15-5-1-2-6-16(15)13-17)23-12-11-21-19(14-23)18-7-3-4-8-20(18)22-21/h1-10,13,22H,11-12,14H2
InChIKeyVFLGJMABRMGLMY-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.07
Rot. Bonds2

About 2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 16582503) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID16582503
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C21H18N2O2S/c24-26(25,17-10-9-15-5-1-2-6-16(15)13-17)23-12-11-21-19(14-23)18-7-3-4-8-20(18)22-21/h1-10,13,22H,11-12,14H2
InChIKeyVFLGJMABRMGLMY-UHFFFAOYSA-N
XLogP4.07
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 24602976
2-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 24602975
6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 24590338
1-[4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylsulfonyl)phenyl]pyrrolidin-2-one
CID 29135603
2-propan-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 61355681
7-methyl-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089606
2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 808079
2-(2-chloroethylsulfonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 107651021
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246
2-(1,3-benzodioxol-5-ylsulfonyl)-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089454
4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylsulfonyl)-2,1,3-benzothiadiazole
CID 24590337
8-tert-butyl-2-(4-fluorophenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089519

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 16582503) is 2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is O=S(=O)(c1ccc2ccccc2c1)N1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of 2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is VFLGJMABRMGLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-26(25,17-10-9-15-5-1-2-6-16(15)13-17)23-12-11-21-19(14-23)18-7-3-4-8-20(18)22-21/h1-10,13,22H,11-12,14H2.
What are the key properties of 2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 362.45 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 16582503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).