N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide

C19H17F2N3O2S — CID 24739670

IUPACN-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2cc(F)c(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H17F2N3O2S/c1-11(2)24-10-16(12-6-17(20)15(9-22)18(21)7-12)14-5-4-13(8-19(14)24)23-27(3,25)26/h4-8,10-11,23H,1-3H3
InChIKeyGIOKNSZNAYTPCN-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.41
Rot. Bonds4

About N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide

N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (PubChem CID 24739670) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
PubChem CID24739670
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2cc(F)c(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H17F2N3O2S/c1-11(2)24-10-16(12-6-17(20)15(9-22)18(21)7-12)14-5-4-13(8-19(14)24)23-27(3,25)26/h4-8,10-11,23H,1-3H3
InChIKeyGIOKNSZNAYTPCN-UHFFFAOYSA-N
XLogP4.41
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.41
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-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (CID 24739670) is N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is CC(C)n1cc(-c2cc(F)c(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The InChIKey is GIOKNSZNAYTPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-11(2)24-10-16(12-6-17(20)15(9-22)18(21)7-12)14-5-4-13(8-19(14)24)23-27(3,25)26/h4-8,10-11,23H,1-3H3.
What are the key properties of N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 4.41, 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-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is sourced from PubChem (CID 24739670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).