N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide

C15H22N2O3S — CID 125470934

IUPACN-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide
SMILESCCCCN1C(=O)Cc2cc(N(C)S(=O)(=O)CC)ccc21
InChIInChI=1S/C15H22N2O3S/c1-4-6-9-17-14-8-7-13(10-12(14)11-15(17)18)16(3)21(19,20)5-2/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyLZZQFVCDYSTREJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.16
Rot. Bonds6

About N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide

N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide (PubChem CID 125470934) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide
PubChem CID125470934
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide
SMILESCCCCN1C(=O)Cc2cc(N(C)S(=O)(=O)CC)ccc21
InChIInChI=1S/C15H22N2O3S/c1-4-6-9-17-14-8-7-13(10-12(14)11-15(17)18)16(3)21(19,20)5-2/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyLZZQFVCDYSTREJ-UHFFFAOYSA-N
XLogP2.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide?
The IUPAC name of N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide (CID 125470934) is N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide?
The canonical SMILES for N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide is CCCCN1C(=O)Cc2cc(N(C)S(=O)(=O)CC)ccc21.
What is the InChIKey of N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide?
The InChIKey is LZZQFVCDYSTREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-6-9-17-14-8-7-13(10-12(14)11-15(17)18)16(3)21(19,20)5-2/h7-8,10H,4-6,9,11H2,1-3H3.
What are the key properties of N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide?
N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide is sourced from PubChem (CID 125470934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).