3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide

C19H15BrClNO4S — CID 146546028

IUPAC3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C19H15BrClNO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(21)10-15(20)19(18)23/h2-11,22-23H,1H3
InChIKeyGCDLNXZQQGAZDD-UHFFFAOYSA-N
MW468.76 g/mol
LogP5.28
Rot. Bonds5

About 3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide

3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (PubChem CID 146546028) has the molecular formula C19H15BrClNO4S and a molecular weight of 468.76 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
PubChem CID146546028
Molecular FormulaC19H15BrClNO4S
Molecular Weight468.76 g/mol
Exact Mass466.96
IUPAC Name3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C19H15BrClNO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(21)10-15(20)19(18)23/h2-11,22-23H,1H3
InChIKeyGCDLNXZQQGAZDD-UHFFFAOYSA-N
XLogP5.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.76
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-2-hydroxy-N-(4-methoxy-[1,1'-biphenyl]-3-yl)benzenesulfonamide
CID 16747776
3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545732
3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide
CID 146545851
3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 146545914
5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide
CID 145704699
5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146545864
3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146545761
3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 146545820
3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146545895
N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide
CID 68580768
3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide
CID 146601013
3-bromo-5-chloro-N-(5-cyclohexa-1,5-dien-3-yn-1-yl-2-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 146601173

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (CID 146546028) is 3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The InChIKey is GCDLNXZQQGAZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(21)10-15(20)19(18)23/h2-11,22-23H,1H3.
What are the key properties of 3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide has a molecular weight of 468.76 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 146546028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).