3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide

C18H15F3N2O3S — CID 3710473

IUPAC3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(C=O)c2c1
InChIInChI=1S/C18H15F3N2O3S/c1-23(2)27(25,26)13-6-7-16-14(9-13)15(10-24)17(22-16)11-4-3-5-12(8-11)18(19,20)21/h3-10,22H,1-2H3
InChIKeyDZSREVCBFFHRCB-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.92
Rot. Bonds4

About 3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide

3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (PubChem CID 3710473) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is 3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
PubChem CID3710473
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC Name3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(C=O)c2c1
InChIInChI=1S/C18H15F3N2O3S/c1-23(2)27(25,26)13-6-7-16-14(9-13)15(10-24)17(22-16)11-4-3-5-12(8-11)18(19,20)21/h3-10,22H,1-2H3
InChIKeyDZSREVCBFFHRCB-UHFFFAOYSA-N
XLogP3.92
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The IUPAC name of 3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (CID 3710473) is 3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The canonical SMILES for 3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(C=O)c2c1.
What is the InChIKey of 3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The InChIKey is DZSREVCBFFHRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c1-23(2)27(25,26)13-6-7-16-14(9-13)15(10-24)17(22-16)11-4-3-5-12(8-11)18(19,20)21/h3-10,22H,1-2H3.
What are the key properties of 3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide has a molecular weight of 396.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 3710473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).