4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol

C20H15BrClNO3S — CID 146565138

IUPAC4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol
SMILESO=S(=O)(c1cc(Br)cc(Cl)c1O)N1CCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C20H15BrClNO3S/c21-16-11-17(22)20(24)19(12-16)27(25,26)23-9-8-14-6-7-15(10-18(14)23)13-4-2-1-3-5-13/h1-7,10-12,24H,8-9H2
InChIKeyURABVUPNBVVWPW-UHFFFAOYSA-N
MW464.77 g/mol
LogP5.23
Rot. Bonds3

About 4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol

4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol (PubChem CID 146565138) has the molecular formula C20H15BrClNO3S and a molecular weight of 464.77 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol
PubChem CID146565138
Molecular FormulaC20H15BrClNO3S
Molecular Weight464.77 g/mol
Exact Mass462.96
IUPAC Name4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol
SMILESO=S(=O)(c1cc(Br)cc(Cl)c1O)N1CCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C20H15BrClNO3S/c21-16-11-17(22)20(24)19(12-16)27(25,26)23-9-8-14-6-7-15(10-18(14)23)13-4-2-1-3-5-13/h1-7,10-12,24H,8-9H2
InChIKeyURABVUPNBVVWPW-UHFFFAOYSA-N
XLogP5.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.77
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545883
5-bromo-3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146546023
N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545789
3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 146546031
5-bromo-3-chloro-N-(4-chloro-2-prop-1-ynylphenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 146545830
5-bromo-3-chloro-N-(4-chloro-2-methylphenyl)-2-hydroxy-N-methylbenzenesulfonamide;ethane
CID 153584352
4-Bromo-2-chloro-6-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]phenol
CID 4492212
5-bromo-3-chloro-N-(4-chloro-2-methylphenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 153584353

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol?
The IUPAC name of 4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol (CID 146565138) is 4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol?
The canonical SMILES for 4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol is O=S(=O)(c1cc(Br)cc(Cl)c1O)N1CCc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol?
The InChIKey is URABVUPNBVVWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClNO3S/c21-16-11-17(22)20(24)19(12-16)27(25,26)23-9-8-14-6-7-15(10-18(14)23)13-4-2-1-3-5-13/h1-7,10-12,24H,8-9H2.
What are the key properties of 4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol?
4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol has a molecular weight of 464.77 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-[(6-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenol is sourced from PubChem (CID 146565138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).