6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide

C24H32Cl2N2O3S — CID 18450080

IUPAC6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
SMILESCc1c(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2ccc(Cl)c(Cl)c2n1CCCS(C)(=O)=O
InChIInChI=1S/C24H32Cl2N2O3S/c1-14-18(21(29)27-22-23(2,3)15-9-10-24(22,4)13-15)16-7-8-17(25)19(26)20(16)28(14)11-6-12-32(5,30)31/h7-8,15,22H,6,9-13H2,1-5H3,(H,27,29)
InChIKeyAYEBMHBRCXVJQS-UHFFFAOYSA-N
MW499.50 g/mol
LogP5.64
Rot. Bonds6

About 6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide

6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide (PubChem CID 18450080) has the molecular formula C24H32Cl2N2O3S and a molecular weight of 499.50 g/mol. Its IUPAC name is 6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
PubChem CID18450080
Molecular FormulaC24H32Cl2N2O3S
Molecular Weight499.50 g/mol
Exact Mass498.15
IUPAC Name6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
SMILESCc1c(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2ccc(Cl)c(Cl)c2n1CCCS(C)(=O)=O
InChIInChI=1S/C24H32Cl2N2O3S/c1-14-18(21(29)27-22-23(2,3)15-9-10-24(22,4)13-15)16-7-8-17(25)19(26)20(16)28(14)11-6-12-32(5,30)31/h7-8,15,22H,6,9-13H2,1-5H3,(H,27,29)
InChIKeyAYEBMHBRCXVJQS-UHFFFAOYSA-N
XLogP5.64
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.50
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The IUPAC name of 6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide (CID 18450080) is 6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide.
What is the SMILES notation for 6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The canonical SMILES for 6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide is Cc1c(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2ccc(Cl)c(Cl)c2n1CCCS(C)(=O)=O.
What is the InChIKey of 6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The InChIKey is AYEBMHBRCXVJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2N2O3S/c1-14-18(21(29)27-22-23(2,3)15-9-10-24(22,4)13-15)16-7-8-17(25)19(26)20(16)28(14)11-6-12-32(5,30)31/h7-8,15,22H,6,9-13H2,1-5H3,(H,27,29).
What are the key properties of 6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide has a molecular weight of 499.50 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide is sourced from PubChem (CID 18450080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).