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

C19H18FN3O2S — CID 51346768

IUPACN-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H18FN3O2S/c1-12(2)23-11-17(13-4-5-14(10-21)18(20)8-13)16-7-6-15(9-19(16)23)22-26(3,24)25/h4-9,11-12,22H,1-3H3
InChIKeyJIKFLEZNTIZKCI-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.27
Rot. Bonds4

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

N-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (PubChem CID 51346768) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
PubChem CID51346768
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H18FN3O2S/c1-12(2)23-11-17(13-4-5-14(10-21)18(20)8-13)16-7-6-15(9-19(16)23)22-26(3,24)25/h4-9,11-12,22H,1-3H3
InChIKeyJIKFLEZNTIZKCI-UHFFFAOYSA-N
XLogP4.27
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.27
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-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (CID 51346768) is N-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The InChIKey is JIKFLEZNTIZKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-12(2)23-11-17(13-4-5-14(10-21)18(20)8-13)16-7-6-15(9-19(16)23)22-26(3,24)25/h4-9,11-12,22H,1-3H3.
What are the key properties of N-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
N-[3-(4-cyano-3-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide has a molecular weight of 371.44 g/mol, XLogP of 4.27, 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-fluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is sourced from PubChem (CID 51346768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).