N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide

C19H16F2N2O2S — CID 112989459

IUPACN-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C19H16F2N2O2S/c1-13-3-2-4-17(11-13)26(24,25)23-16-8-6-15(7-9-16)22-19-10-5-14(20)12-18(19)21/h2-12,22-23H,1H3
InChIKeyCFWYNINJJLVCAQ-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.82
Rot. Bonds5

About N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide

N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide (PubChem CID 112989459) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide
PubChem CID112989459
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC NameN-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C19H16F2N2O2S/c1-13-3-2-4-17(11-13)26(24,25)23-16-8-6-15(7-9-16)22-19-10-5-14(20)12-18(19)21/h2-12,22-23H,1H3
InChIKeyCFWYNINJJLVCAQ-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide
CID 112988985
N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide
CID 110872378
3-fluoro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 50747974
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide (CID 112989459) is N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)cc2)c1.
What is the InChIKey of N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is CFWYNINJJLVCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-13-3-2-4-17(11-13)26(24,25)23-16-8-6-15(7-9-16)22-19-10-5-14(20)12-18(19)21/h2-12,22-23H,1H3.
What are the key properties of N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide?
N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 374.41 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 112989459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).