3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide

C19H15BrClNO4S — CID 21372759

IUPAC3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1Br
InChIInChI=1S/C19H15BrClNO4S/c1-25-18-10-8-15(12-16(18)20)27(23,24)22-17-11-13(21)7-9-19(17)26-14-5-3-2-4-6-14/h2-12,22H,1H3
InChIKeyHADNXYQLBRKWJC-UHFFFAOYSA-N
MW468.76 g/mol
LogP5.70
Rot. Bonds6

About 3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide

3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 21372759) has the molecular formula C19H15BrClNO4S and a molecular weight of 468.76 g/mol. Its IUPAC name is 3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID21372759
Molecular FormulaC19H15BrClNO4S
Molecular Weight468.76 g/mol
Exact Mass466.96
IUPAC Name3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1Br
InChIInChI=1S/C19H15BrClNO4S/c1-25-18-10-8-15(12-16(18)20)27(23,24)22-17-11-13(21)7-9-19(17)26-14-5-3-2-4-6-14/h2-12,22H,1H3
InChIKeyHADNXYQLBRKWJC-UHFFFAOYSA-N
XLogP5.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.76
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 9172981
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126252916
3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid
CID 45464935
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370059
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504
4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4801341
N-[2-methoxy-5-[(2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 71903158
N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 68974633

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide (CID 21372759) is 3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is HADNXYQLBRKWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO4S/c1-25-18-10-8-15(12-16(18)20)27(23,24)22-17-11-13(21)7-9-19(17)26-14-5-3-2-4-6-14/h2-12,22H,1H3.
What are the key properties of 3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide?
3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 468.76 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 21372759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).