N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide

C26H21F2N3O4S — CID 3564275

IUPACN-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)c2ccc(N)cc2)cc1
InChIInChI=1S/C26H21F2N3O4S/c1-35-20-12-10-19(11-13-20)31(18-8-6-17(29)7-9-18)26(32)22-4-2-3-5-25(22)30-36(33,34)21-14-15-23(27)24(28)16-21/h2-16,30H,29H2,1H3
InChIKeyUVJNWDWODDGCBX-UHFFFAOYSA-N
MW509.53 g/mol
LogP5.33
Rot. Bonds7

About N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide

N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide (PubChem CID 3564275) has the molecular formula C26H21F2N3O4S and a molecular weight of 509.53 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
PubChem CID3564275
Molecular FormulaC26H21F2N3O4S
Molecular Weight509.53 g/mol
Exact Mass509.12
IUPAC NameN-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)c2ccc(N)cc2)cc1
InChIInChI=1S/C26H21F2N3O4S/c1-35-20-12-10-19(11-13-20)31(18-8-6-17(29)7-9-18)26(32)22-4-2-3-5-25(22)30-36(33,34)21-14-15-23(27)24(28)16-21/h2-16,30H,29H2,1H3
InChIKeyUVJNWDWODDGCBX-UHFFFAOYSA-N
XLogP5.33
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.53
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzenecarboximidate
CID 2374438
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2374730
3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 102695953
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenecarboximidate
CID 2374729
N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide
CID 71346608
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 25497844
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 18229347
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide (CID 3564275) is N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide is COc1ccc(N(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)c2ccc(N)cc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is UVJNWDWODDGCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O4S/c1-35-20-12-10-19(11-13-20)31(18-8-6-17(29)7-9-18)26(32)22-4-2-3-5-25(22)30-36(33,34)21-14-15-23(27)24(28)16-21/h2-16,30H,29H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide?
N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 509.53 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[(3,4-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 3564275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).