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

C24H33Cl2N3O3S — CID 18450074

IUPAC6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-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)c2n1CCCNS(C)(=O)=O
InChIInChI=1S/C24H33Cl2N3O3S/c1-14-18(21(30)28-22-23(2,3)15-9-10-24(22,4)13-15)16-7-8-17(25)19(26)20(16)29(14)12-6-11-27-33(5,31)32/h7-8,15,22,27H,6,9-13H2,1-5H3,(H,28,30)
InChIKeyOAICLVYDZDGPST-UHFFFAOYSA-N
MW514.52 g/mol
LogP5.14
Rot. Bonds7

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

6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide (PubChem CID 18450074) has the molecular formula C24H33Cl2N3O3S and a molecular weight of 514.52 g/mol. Its IUPAC name is 6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
PubChem CID18450074
Molecular FormulaC24H33Cl2N3O3S
Molecular Weight514.52 g/mol
Exact Mass513.16
IUPAC Name6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-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)c2n1CCCNS(C)(=O)=O
InChIInChI=1S/C24H33Cl2N3O3S/c1-14-18(21(30)28-22-23(2,3)15-9-10-24(22,4)13-15)16-7-8-17(25)19(26)20(16)29(14)12-6-11-27-33(5,31)32/h7-8,15,22,27H,6,9-13H2,1-5H3,(H,28,30)
InChIKeyOAICLVYDZDGPST-UHFFFAOYSA-N
XLogP5.14
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The IUPAC name of 6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide (CID 18450074) is 6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide.
What is the SMILES notation for 6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The canonical SMILES for 6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-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)c2n1CCCNS(C)(=O)=O.
What is the InChIKey of 6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The InChIKey is OAICLVYDZDGPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33Cl2N3O3S/c1-14-18(21(30)28-22-23(2,3)15-9-10-24(22,4)13-15)16-7-8-17(25)19(26)20(16)29(14)12-6-11-27-33(5,31)32/h7-8,15,22,27H,6,9-13H2,1-5H3,(H,28,30).
What are the key properties of 6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide has a molecular weight of 514.52 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-[3-(methanesulfonamido)propyl]-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide is sourced from PubChem (CID 18450074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).