N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide

C21H22Cl2N2O3S — CID 16722775

IUPACN-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide
SMILESCc1c(C(=O)Cc2ccccc2Cl)c2cccc(Cl)c2n1CCCNS(C)(=O)=O
InChIInChI=1S/C21H22Cl2N2O3S/c1-14-20(19(26)13-15-7-3-4-9-17(15)22)16-8-5-10-18(23)21(16)25(14)12-6-11-24-29(2,27)28/h3-5,7-10,24H,6,11-13H2,1-2H3
InChIKeyHMOHKJGHNSNCJC-UHFFFAOYSA-N
MW453.39 g/mol
LogP4.62
Rot. Bonds8

About N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide

N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide (PubChem CID 16722775) has the molecular formula C21H22Cl2N2O3S and a molecular weight of 453.39 g/mol. Its IUPAC name is N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide
PubChem CID16722775
Molecular FormulaC21H22Cl2N2O3S
Molecular Weight453.39 g/mol
Exact Mass452.07
IUPAC NameN-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide
SMILESCc1c(C(=O)Cc2ccccc2Cl)c2cccc(Cl)c2n1CCCNS(C)(=O)=O
InChIInChI=1S/C21H22Cl2N2O3S/c1-14-20(19(26)13-15-7-3-4-9-17(15)22)16-8-5-10-18(23)21(16)25(14)12-6-11-24-29(2,27)28/h3-5,7-10,24H,6,11-13H2,1-2H3
InChIKeyHMOHKJGHNSNCJC-UHFFFAOYSA-N
XLogP4.62
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
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 N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide (CID 16722775) is N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide is Cc1c(C(=O)Cc2ccccc2Cl)c2cccc(Cl)c2n1CCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide?
The InChIKey is HMOHKJGHNSNCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3S/c1-14-20(19(26)13-15-7-3-4-9-17(15)22)16-8-5-10-18(23)21(16)25(14)12-6-11-24-29(2,27)28/h3-5,7-10,24H,6,11-13H2,1-2H3.
What are the key properties of N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide?
N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide has a molecular weight of 453.39 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-chloro-3-[2-(2-chlorophenyl)acetyl]-2-methylindol-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 16722775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).