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

C23H32ClN3O3S — CID 18450093

IUPAC7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1cn(CCCNS(C)(=O)=O)c2c(Cl)cccc12
InChIInChI=1S/C23H32ClN3O3S/c1-22(2)15-9-10-23(3,13-15)21(22)26-20(28)17-14-27(12-6-11-25-31(4,29)30)19-16(17)7-5-8-18(19)24/h5,7-8,14-15,21,25H,6,9-13H2,1-4H3,(H,26,28)
InChIKeyBPRNDMKCOLOMKC-UHFFFAOYSA-N
MW466.05 g/mol
LogP4.18
Rot. Bonds7

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

7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide (PubChem CID 18450093) has the molecular formula C23H32ClN3O3S and a molecular weight of 466.05 g/mol. Its IUPAC name is 7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
PubChem CID18450093
Molecular FormulaC23H32ClN3O3S
Molecular Weight466.05 g/mol
Exact Mass465.19
IUPAC Name7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1cn(CCCNS(C)(=O)=O)c2c(Cl)cccc12
InChIInChI=1S/C23H32ClN3O3S/c1-22(2)15-9-10-23(3,13-15)21(22)26-20(28)17-14-27(12-6-11-25-31(4,29)30)19-16(17)7-5-8-18(19)24/h5,7-8,14-15,21,25H,6,9-13H2,1-4H3,(H,26,28)
InChIKeyBPRNDMKCOLOMKC-UHFFFAOYSA-N
XLogP4.18
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.05
LogP ≤ 54.18
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 7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The IUPAC name of 7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide (CID 18450093) is 7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide.
What is the SMILES notation for 7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The canonical SMILES for 7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide is CC12CCC(C1)C(C)(C)C2NC(=O)c1cn(CCCNS(C)(=O)=O)c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The InChIKey is BPRNDMKCOLOMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O3S/c1-22(2)15-9-10-23(3,13-15)21(22)26-20(28)17-14-27(12-6-11-25-31(4,29)30)19-16(17)7-5-8-18(19)24/h5,7-8,14-15,21,25H,6,9-13H2,1-4H3,(H,26,28).
What are the key properties of 7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide has a molecular weight of 466.05 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[3-(methanesulfonamido)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide is sourced from PubChem (CID 18450093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).