N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide

C20H23ClN2O2S — CID 58731202

IUPACN-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
SMILESCCC(CC)(c1ccc(Cl)cc1)c1c[nH]c2c(NS(C)(=O)=O)cccc12
InChIInChI=1S/C20H23ClN2O2S/c1-4-20(5-2,14-9-11-15(21)12-10-14)17-13-22-19-16(17)7-6-8-18(19)23-26(3,24)25/h6-13,22-23H,4-5H2,1-3H3
InChIKeyPWZFNNKBWAZVOC-UHFFFAOYSA-N
MW390.94 g/mol
LogP5.30
Rot. Bonds6

About N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide

N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide (PubChem CID 58731202) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
PubChem CID58731202
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC NameN-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
SMILESCCC(CC)(c1ccc(Cl)cc1)c1c[nH]c2c(NS(C)(=O)=O)cccc12
InChIInChI=1S/C20H23ClN2O2S/c1-4-20(5-2,14-9-11-15(21)12-10-14)17-13-22-19-16(17)7-6-8-18(19)23-26(3,24)25/h6-13,22-23H,4-5H2,1-3H3
InChIKeyPWZFNNKBWAZVOC-UHFFFAOYSA-N
XLogP5.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.94
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide (CID 58731202) is N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide is CCC(CC)(c1ccc(Cl)cc1)c1c[nH]c2c(NS(C)(=O)=O)cccc12.
What is the InChIKey of N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
The InChIKey is PWZFNNKBWAZVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c1-4-20(5-2,14-9-11-15(21)12-10-14)17-13-22-19-16(17)7-6-8-18(19)23-26(3,24)25/h6-13,22-23H,4-5H2,1-3H3.
What are the key properties of N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide?
N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide has a molecular weight of 390.94 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide is sourced from PubChem (CID 58731202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).