2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

C23H24N2O2S — CID 4790667

IUPAC2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O2S/c1-16-7-10-22-20(13-16)21-15-24(2)12-11-23(21)25(22)28(26,27)19-9-8-17-5-3-4-6-18(17)14-19/h3-10,13-14,21,23H,11-12,15H2,1-2H3
InChIKeyBGOUJACGWBNQQD-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.14
Rot. Bonds2

About 2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 4790667) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID4790667
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O2S/c1-16-7-10-22-20(13-16)21-15-24(2)12-11-23(21)25(22)28(26,27)19-9-8-17-5-3-4-6-18(17)14-19/h3-10,13-14,21,23H,11-12,15H2,1-2H3
InChIKeyBGOUJACGWBNQQD-UHFFFAOYSA-N
XLogP4.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (CID 4790667) is 2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)C1CN(C)CCC1N2S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is BGOUJACGWBNQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-16-7-10-22-20(13-16)21-15-24(2)12-11-23(21)25(22)28(26,27)19-9-8-17-5-3-4-6-18(17)14-19/h3-10,13-14,21,23H,11-12,15H2,1-2H3.
What are the key properties of 2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 392.52 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 4790667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).