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

C20H21N3O2S — CID 53317489

IUPACN-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N
InChIInChI=1S/C20H21N3O2S/c1-13(2)23-12-19(15-5-6-16(11-21)14(3)9-15)18-8-7-17(10-20(18)23)22-26(4,24)25/h5-10,12-13,22H,1-4H3
InChIKeyWIMXURNPWBOQET-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.44
Rot. Bonds4

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

N-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (PubChem CID 53317489) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
PubChem CID53317489
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N
InChIInChI=1S/C20H21N3O2S/c1-13(2)23-12-19(15-5-6-16(11-21)14(3)9-15)18-8-7-17(10-20(18)23)22-26(4,24)25/h5-10,12-13,22H,1-4H3
InChIKeyWIMXURNPWBOQET-UHFFFAOYSA-N
XLogP4.44
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (CID 53317489) is N-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is Cc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N.
What is the InChIKey of N-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The InChIKey is WIMXURNPWBOQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13(2)23-12-19(15-5-6-16(11-21)14(3)9-15)18-8-7-17(10-20(18)23)22-26(4,24)25/h5-10,12-13,22H,1-4H3.
What are the key properties of N-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
N-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyano-3-methylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is sourced from PubChem (CID 53317489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).