N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide

C20H24N2O2S — CID 58731199

IUPACN-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide
SMILESCCC(CC)(c1ccccc1)c1c[nH]c2c(NS(C)(=O)=O)cccc12
InChIInChI=1S/C20H24N2O2S/c1-4-20(5-2,15-10-7-6-8-11-15)17-14-21-19-16(17)12-9-13-18(19)22-25(3,23)24/h6-14,21-22H,4-5H2,1-3H3
InChIKeyBSLBAZBTEKUDPX-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.65
Rot. Bonds6

About N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide

N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide (PubChem CID 58731199) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide
PubChem CID58731199
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide
SMILESCCC(CC)(c1ccccc1)c1c[nH]c2c(NS(C)(=O)=O)cccc12
InChIInChI=1S/C20H24N2O2S/c1-4-20(5-2,15-10-7-6-8-11-15)17-14-21-19-16(17)12-9-13-18(19)22-25(3,23)24/h6-14,21-22H,4-5H2,1-3H3
InChIKeyBSLBAZBTEKUDPX-UHFFFAOYSA-N
XLogP4.65
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide (CID 58731199) is N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide is CCC(CC)(c1ccccc1)c1c[nH]c2c(NS(C)(=O)=O)cccc12.
What is the InChIKey of N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide?
The InChIKey is BSLBAZBTEKUDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-4-20(5-2,15-10-7-6-8-11-15)17-14-21-19-16(17)12-9-13-18(19)22-25(3,23)24/h6-14,21-22H,4-5H2,1-3H3.
What are the key properties of N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide?
N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide is sourced from PubChem (CID 58731199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).