N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide

C20H23ClN2O2S — CID 70561849

IUPACN-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide
SMILESCCC(CC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C20H23ClN2O2S/c1-4-20(5-2,15-9-11-16(21)12-10-15)23-14-13-17-18(22-26(3,24)25)7-6-8-19(17)23/h6-14,22H,4-5H2,1-3H3
InChIKeyMQLOOLGWCJSOPP-UHFFFAOYSA-N
MW390.94 g/mol
LogP5.23
Rot. Bonds6

About N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide

N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide (PubChem CID 70561849) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide
PubChem CID70561849
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC NameN-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide
SMILESCCC(CC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C20H23ClN2O2S/c1-4-20(5-2,15-9-11-16(21)12-10-15)23-14-13-17-18(22-26(3,24)25)7-6-8-19(17)23/h6-14,22H,4-5H2,1-3H3
InChIKeyMQLOOLGWCJSOPP-UHFFFAOYSA-N
XLogP5.23
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.94
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide (CID 70561849) is N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide is CCC(CC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide?
The InChIKey is MQLOOLGWCJSOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c1-4-20(5-2,15-9-11-16(21)12-10-15)23-14-13-17-18(22-26(3,24)25)7-6-8-19(17)23/h6-14,22H,4-5H2,1-3H3.
What are the key properties of N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide?
N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide has a molecular weight of 390.94 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)pentan-3-yl]indol-4-yl]methanesulfonamide is sourced from PubChem (CID 70561849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).