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

C21H17BrN2O2S — CID 66547074

IUPAC5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccccc2)cc1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C21H17BrN2O2S/c22-19-10-11-20-18(12-19)13-21(24-20)27(25,26)23-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,23-24H,14H2
InChIKeyBTSRRDYCHLMCRE-UHFFFAOYSA-N
MW441.35 g/mol
LogP5.08
Rot. Bonds5

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

5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide (PubChem CID 66547074) has the molecular formula C21H17BrN2O2S and a molecular weight of 441.35 g/mol. Its IUPAC name is 5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
PubChem CID66547074
Molecular FormulaC21H17BrN2O2S
Molecular Weight441.35 g/mol
Exact Mass440.02
IUPAC Name5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccccc2)cc1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C21H17BrN2O2S/c22-19-10-11-20-18(12-19)13-21(24-20)27(25,26)23-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,23-24H,14H2
InChIKeyBTSRRDYCHLMCRE-UHFFFAOYSA-N
XLogP5.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.35
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide (CID 66547074) is 5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide is O=S(=O)(NCc1ccc(-c2ccccc2)cc1)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide?
The InChIKey is BTSRRDYCHLMCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O2S/c22-19-10-11-20-18(12-19)13-21(24-20)27(25,26)23-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,23-24H,14H2.
What are the key properties of 5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide?
5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide has a molecular weight of 441.35 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide is sourced from PubChem (CID 66547074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).