N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide

C12H14Cl2N2O2S — CID 66697903

IUPACN-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1ccc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C12H14Cl2N2O2S/c1-19(17,18)15-6-2-7-16-8-5-9-3-4-10(13)11(14)12(9)16/h3-5,8,15H,2,6-7H2,1H3
InChIKeyRVRGZBYMRTWUCI-UHFFFAOYSA-N
MW321.23 g/mol
LogP2.89
Rot. Bonds5

About N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide

N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide (PubChem CID 66697903) has the molecular formula C12H14Cl2N2O2S and a molecular weight of 321.23 g/mol. Its IUPAC name is N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide
PubChem CID66697903
Molecular FormulaC12H14Cl2N2O2S
Molecular Weight321.23 g/mol
Exact Mass320.02
IUPAC NameN-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1ccc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C12H14Cl2N2O2S/c1-19(17,18)15-6-2-7-16-8-5-9-3-4-10(13)11(14)12(9)16/h3-5,8,15H,2,6-7H2,1H3
InChIKeyRVRGZBYMRTWUCI-UHFFFAOYSA-N
XLogP2.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide (CID 66697903) is N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCn1ccc2ccc(Cl)c(Cl)c21.
What is the InChIKey of N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide?
The InChIKey is RVRGZBYMRTWUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2S/c1-19(17,18)15-6-2-7-16-8-5-9-3-4-10(13)11(14)12(9)16/h3-5,8,15H,2,6-7H2,1H3.
What are the key properties of N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide?
N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide has a molecular weight of 321.23 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dichloroindol-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 66697903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).