5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide

C20H15BrFN3O2S — CID 66546531

IUPAC5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(F)cc2)cn1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C20H15BrFN3O2S/c21-16-4-8-19-15(9-16)10-20(25-19)28(26,27)24-12-18-7-3-14(11-23-18)13-1-5-17(22)6-2-13/h1-11,24-25H,12H2
InChIKeyCTVIAQGHCLSTLT-UHFFFAOYSA-N
MW460.33 g/mol
LogP4.61
Rot. Bonds5

About 5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide

5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide (PubChem CID 66546531) has the molecular formula C20H15BrFN3O2S and a molecular weight of 460.33 g/mol. Its IUPAC name is 5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide
PubChem CID66546531
Molecular FormulaC20H15BrFN3O2S
Molecular Weight460.33 g/mol
Exact Mass459.01
IUPAC Name5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(F)cc2)cn1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C20H15BrFN3O2S/c21-16-4-8-19-15(9-16)10-20(25-19)28(26,27)24-12-18-7-3-14(11-23-18)13-1-5-17(22)6-2-13/h1-11,24-25H,12H2
InChIKeyCTVIAQGHCLSTLT-UHFFFAOYSA-N
XLogP4.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.33
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide (CID 66546531) is 5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide is O=S(=O)(NCc1ccc(-c2ccc(F)cc2)cn1)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide?
The InChIKey is CTVIAQGHCLSTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFN3O2S/c21-16-4-8-19-15(9-16)10-20(25-19)28(26,27)24-12-18-7-3-14(11-23-18)13-1-5-17(22)6-2-13/h1-11,24-25H,12H2.
What are the key properties of 5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide?
5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide has a molecular weight of 460.33 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 66546531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).