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

C19H15ClFNO4S — CID 9172981

IUPACN-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1F
InChIInChI=1S/C19H15ClFNO4S/c1-25-19-12-15(8-9-16(19)21)27(23,24)22-17-11-13(20)7-10-18(17)26-14-5-3-2-4-6-14/h2-12,22H,1H3
InChIKeyOPVADNDFZRBEAI-UHFFFAOYSA-N
MW407.85 g/mol
LogP5.08
Rot. Bonds6

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

N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 9172981) has the molecular formula C19H15ClFNO4S and a molecular weight of 407.85 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID9172981
Molecular FormulaC19H15ClFNO4S
Molecular Weight407.85 g/mol
Exact Mass407.04
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1F
InChIInChI=1S/C19H15ClFNO4S/c1-25-19-12-15(8-9-16(19)21)27(23,24)22-17-11-13(20)7-10-18(17)26-14-5-3-2-4-6-14/h2-12,22H,1H3
InChIKeyOPVADNDFZRBEAI-UHFFFAOYSA-N
XLogP5.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.85
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 21372759
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-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
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
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide (CID 9172981) is N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1F.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is OPVADNDFZRBEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO4S/c1-25-19-12-15(8-9-16(19)21)27(23,24)22-17-11-13(20)7-10-18(17)26-14-5-3-2-4-6-14/h2-12,22H,1H3.
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide?
N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 407.85 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 9172981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).