2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine

C19H21ClN2O2S — CID 56957362

IUPAC2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine
SMILESCCN(CC)c1c(-c2ccc(Cl)cc2)n(S(C)(=O)=O)c2ccccc12
InChIInChI=1S/C19H21ClN2O2S/c1-4-21(5-2)19-16-8-6-7-9-17(16)22(25(3,23)24)18(19)14-10-12-15(20)13-11-14/h6-13H,4-5H2,1-3H3
InChIKeyAGXRKSUEEGKBJB-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.62
Rot. Bonds5

About 2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine

2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine (PubChem CID 56957362) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine
PubChem CID56957362
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine
SMILESCCN(CC)c1c(-c2ccc(Cl)cc2)n(S(C)(=O)=O)c2ccccc12
InChIInChI=1S/C19H21ClN2O2S/c1-4-21(5-2)19-16-8-6-7-9-17(16)22(25(3,23)24)18(19)14-10-12-15(20)13-11-14/h6-13H,4-5H2,1-3H3
InChIKeyAGXRKSUEEGKBJB-UHFFFAOYSA-N
XLogP4.62
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine?
The IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine (CID 56957362) is 2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine is CCN(CC)c1c(-c2ccc(Cl)cc2)n(S(C)(=O)=O)c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine?
The InChIKey is AGXRKSUEEGKBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-4-21(5-2)19-16-8-6-7-9-17(16)22(25(3,23)24)18(19)14-10-12-15(20)13-11-14/h6-13H,4-5H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine?
2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine has a molecular weight of 376.91 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine is sourced from PubChem (CID 56957362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).