N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide

C26H24FN3O3S — CID 91546531

IUPACN-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide
SMILESCOc1cc(NCNc2ccccc2)ccc1NS(=O)(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C26H24FN3O3S/c1-33-26-17-23(29-18-28-22-7-3-2-4-8-22)14-15-25(26)30-34(31,32)24-9-5-6-20(16-24)19-10-12-21(27)13-11-19/h2-17,28-30H,18H2,1H3
InChIKeyXAZYEVPTGUPLHN-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.78
Rot. Bonds9

About N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide

N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide (PubChem CID 91546531) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide
PubChem CID91546531
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC NameN-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide
SMILESCOc1cc(NCNc2ccccc2)ccc1NS(=O)(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C26H24FN3O3S/c1-33-26-17-23(29-18-28-22-7-3-2-4-8-22)14-15-25(26)30-34(31,32)24-9-5-6-20(16-24)19-10-12-21(27)13-11-19/h2-17,28-30H,18H2,1H3
InChIKeyXAZYEVPTGUPLHN-UHFFFAOYSA-N
XLogP5.78
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide
CID 71211560
2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
CID 123387963
N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide
CID 21239388
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 9414168
N-(4-fluoro-2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 71196933
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
3-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776651
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493

Frequently Asked Questions

What is the IUPAC name of N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide (CID 91546531) is N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide is COc1cc(NCNc2ccccc2)ccc1NS(=O)(=O)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is XAZYEVPTGUPLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c1-33-26-17-23(29-18-28-22-7-3-2-4-8-22)14-15-25(26)30-34(31,32)24-9-5-6-20(16-24)19-10-12-21(27)13-11-19/h2-17,28-30H,18H2,1H3.
What are the key properties of N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide?
N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 477.56 g/mol, XLogP of 5.78, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 91546531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).