N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide

C18H12BrClFNO3S — CID 11213244

IUPACN-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H12BrClFNO3S/c19-17-11-14(22-26(23,24)16-3-1-2-12(20)10-16)6-9-18(17)25-15-7-4-13(21)5-8-15/h1-11,22H
InChIKeyGYTAZGYLWJLMPL-UHFFFAOYSA-N
MW456.72 g/mol
LogP5.83
Rot. Bonds5

About N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide

N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide (PubChem CID 11213244) has the molecular formula C18H12BrClFNO3S and a molecular weight of 456.72 g/mol. Its IUPAC name is N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide
PubChem CID11213244
Molecular FormulaC18H12BrClFNO3S
Molecular Weight456.72 g/mol
Exact Mass454.94
IUPAC NameN-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H12BrClFNO3S/c19-17-11-14(22-26(23,24)16-3-1-2-12(20)10-16)6-9-18(17)25-15-7-4-13(21)5-8-15/h1-11,22H
InChIKeyGYTAZGYLWJLMPL-UHFFFAOYSA-N
XLogP5.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.72
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
CID 65430879
3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide
CID 24621918
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
3-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776651
3-chloro-N-[4-(3,4-difluoroanilino)phenyl]benzenesulfonamide
CID 112990324
3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide
CID 110872403
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide
CID 21366794

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide?
The IUPAC name of N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide (CID 11213244) is N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide?
The canonical SMILES for N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide?
The InChIKey is GYTAZGYLWJLMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClFNO3S/c19-17-11-14(22-26(23,24)16-3-1-2-12(20)10-16)6-9-18(17)25-15-7-4-13(21)5-8-15/h1-11,22H.
What are the key properties of N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide?
N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide has a molecular weight of 456.72 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide is sourced from PubChem (CID 11213244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).