N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide

C19H19N3O2S — CID 24739997

IUPACN-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H19N3O2S/c1-13(2)22-12-18(15-6-4-14(11-20)5-7-15)17-9-8-16(10-19(17)22)21-25(3,23)24/h4-10,12-13,21H,1-3H3
InChIKeyLGAUBOVPGJHLSD-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.13
Rot. Bonds4

About N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide

N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (PubChem CID 24739997) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
PubChem CID24739997
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H19N3O2S/c1-13(2)22-12-18(15-6-4-14(11-20)5-7-15)17-9-8-16(10-19(17)22)21-25(3,23)24/h4-10,12-13,21H,1-3H3
InChIKeyLGAUBOVPGJHLSD-UHFFFAOYSA-N
XLogP4.13
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (CID 24739997) is N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is CC(C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The InChIKey is LGAUBOVPGJHLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13(2)22-12-18(15-6-4-14(11-20)5-7-15)17-9-8-16(10-19(17)22)21-25(3,23)24/h4-10,12-13,21H,1-3H3.
What are the key properties of N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is sourced from PubChem (CID 24739997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).