N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

C18H16BrF3N2O3S — CID 146147662

IUPACN-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NC(CC(F)(F)F)c3ccc(Br)cc3)ccc21
InChIInChI=1S/C18H16BrF3N2O3S/c1-24-16-7-6-14(8-12(16)9-17(24)25)28(26,27)23-15(10-18(20,21)22)11-2-4-13(19)5-3-11/h2-8,15,23H,9-10H2,1H3
InChIKeyJXSNWMFPUMFSJG-UHFFFAOYSA-N
MW477.30 g/mol
LogP3.94
Rot. Bonds5

About N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 146147662) has the molecular formula C18H16BrF3N2O3S and a molecular weight of 477.30 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID146147662
Molecular FormulaC18H16BrF3N2O3S
Molecular Weight477.30 g/mol
Exact Mass476.00
IUPAC NameN-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NC(CC(F)(F)F)c3ccc(Br)cc3)ccc21
InChIInChI=1S/C18H16BrF3N2O3S/c1-24-16-7-6-14(8-12(16)9-17(24)25)28(26,27)23-15(10-18(20,21)22)11-2-4-13(19)5-3-11/h2-8,15,23H,9-10H2,1H3
InChIKeyJXSNWMFPUMFSJG-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 146147662) is N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)NC(CC(F)(F)F)c3ccc(Br)cc3)ccc21.
What is the InChIKey of N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is JXSNWMFPUMFSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF3N2O3S/c1-24-16-7-6-14(8-12(16)9-17(24)25)28(26,27)23-15(10-18(20,21)22)11-2-4-13(19)5-3-11/h2-8,15,23H,9-10H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 477.30 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 146147662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).