N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide

C18H17N3O2S — CID 58694045

IUPACN-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide
SMILESCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-3-21-17-7-5-4-6-15(17)16(12-19)18(21)13-8-10-14(11-9-13)20-24(2,22)23/h4-11,20H,3H2,1-2H3
InChIKeyFSXPHRPCKCNBLX-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.57
Rot. Bonds4

About N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide

N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide (PubChem CID 58694045) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide
PubChem CID58694045
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide
SMILESCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-3-21-17-7-5-4-6-15(17)16(12-19)18(21)13-8-10-14(11-9-13)20-24(2,22)23/h4-11,20H,3H2,1-2H3
InChIKeyFSXPHRPCKCNBLX-UHFFFAOYSA-N
XLogP3.57
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide (CID 58694045) is N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide is CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccccc21.
What is the InChIKey of N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide?
The InChIKey is FSXPHRPCKCNBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-3-21-17-7-5-4-6-15(17)16(12-19)18(21)13-8-10-14(11-9-13)20-24(2,22)23/h4-11,20H,3H2,1-2H3.
What are the key properties of N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide?
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 58694045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).