N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide

C19H16F2N2O3S — CID 112990245

IUPACN-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3c(F)cccc3F)cc2)cc1
InChIInChI=1S/C19H16F2N2O3S/c1-26-15-9-11-16(12-10-15)27(24,25)23-14-7-5-13(6-8-14)22-19-17(20)3-2-4-18(19)21/h2-12,22-23H,1H3
InChIKeyWZOMMIGKJQLQGL-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.52
Rot. Bonds6

About N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide

N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 112990245) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide
PubChem CID112990245
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC NameN-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3c(F)cccc3F)cc2)cc1
InChIInChI=1S/C19H16F2N2O3S/c1-26-15-9-11-16(12-10-15)27(24,25)23-14-7-5-13(6-8-14)22-19-17(20)3-2-4-18(19)21/h2-12,22-23H,1H3
InChIKeyWZOMMIGKJQLQGL-UHFFFAOYSA-N
XLogP4.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113051596
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
N-[4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl]-4-methoxybenzenesulfonamide
CID 138608771
N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide
CID 102481786

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide (CID 112990245) is N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3c(F)cccc3F)cc2)cc1.
What is the InChIKey of N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is WZOMMIGKJQLQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c1-26-15-9-11-16(12-10-15)27(24,25)23-14-7-5-13(6-8-14)22-19-17(20)3-2-4-18(19)21/h2-12,22-23H,1H3.
What are the key properties of N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide?
N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 390.41 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 112990245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).