6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide

C24H18FN3O3S — CID 52933115

IUPAC6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(CNC(=O)c2cc(C#N)cc3c2ccn3-c2ccc(F)cc2)c1
InChIInChI=1S/C24H18FN3O3S/c1-32(30,31)20-4-2-3-16(11-20)15-27-24(29)22-12-17(14-26)13-23-21(22)9-10-28(23)19-7-5-18(25)6-8-19/h2-13H,15H2,1H3,(H,27,29)
InChIKeyBZDVBLSKLQBNPP-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.97
Rot. Bonds5

About 6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide

6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide (PubChem CID 52933115) has the molecular formula C24H18FN3O3S and a molecular weight of 447.49 g/mol. Its IUPAC name is 6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide.

Molecular Properties

Compound Name6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide
PubChem CID52933115
Molecular FormulaC24H18FN3O3S
Molecular Weight447.49 g/mol
Exact Mass447.11
IUPAC Name6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(CNC(=O)c2cc(C#N)cc3c2ccn3-c2ccc(F)cc2)c1
InChIInChI=1S/C24H18FN3O3S/c1-32(30,31)20-4-2-3-16(11-20)15-27-24(29)22-12-17(14-26)13-23-21(22)9-10-28(23)19-7-5-18(25)6-8-19/h2-13H,15H2,1H3,(H,27,29)
InChIKeyBZDVBLSKLQBNPP-UHFFFAOYSA-N
XLogP3.97
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide?
The IUPAC name of 6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide (CID 52933115) is 6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide.
What is the SMILES notation for 6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide?
The canonical SMILES for 6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide is CS(=O)(=O)c1cccc(CNC(=O)c2cc(C#N)cc3c2ccn3-c2ccc(F)cc2)c1.
What is the InChIKey of 6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide?
The InChIKey is BZDVBLSKLQBNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3S/c1-32(30,31)20-4-2-3-16(11-20)15-27-24(29)22-12-17(14-26)13-23-21(22)9-10-28(23)19-7-5-18(25)6-8-19/h2-13H,15H2,1H3,(H,27,29).
What are the key properties of 6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide?
6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indole-4-carboxamide is sourced from PubChem (CID 52933115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).