N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide

C21H17ClF2N2O4S — CID 2548470

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H17ClF2N2O4S/c1-12-9-19(20(30-2)11-16(12)22)25-21(27)13-3-5-14(6-4-13)26-31(28,29)15-7-8-17(23)18(24)10-15/h3-11,26H,1-2H3,(H,25,27)
InChIKeyQGHNQHYFUFNRBB-UHFFFAOYSA-N
MW466.89 g/mol
LogP4.99
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide (PubChem CID 2548470) has the molecular formula C21H17ClF2N2O4S and a molecular weight of 466.89 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
PubChem CID2548470
Molecular FormulaC21H17ClF2N2O4S
Molecular Weight466.89 g/mol
Exact Mass466.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H17ClF2N2O4S/c1-12-9-19(20(30-2)11-16(12)22)25-21(27)13-3-5-14(6-4-13)26-31(28,29)15-7-8-17(23)18(24)10-15/h3-11,26H,1-2H3,(H,25,27)
InChIKeyQGHNQHYFUFNRBB-UHFFFAOYSA-N
XLogP4.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide 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

methyl 2-chloro-5-{[N-(2-methoxyphenyl)-N-(phenylsulfonyl)glycyl]amino}benzoate
CID 1295791
N-(2-methoxyphenyl)-4-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
CID 2444155
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 2460259
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide
CID 2540194
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 2578242
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 3469023
2-fluoro-5-{[(4-methoxybenzyl)amino]sulfonyl}-N-(2-methoxyphenyl)benzamide
CID 4394021
2-chloro-6-fluoro-N-(2-methoxy-5-piperidinosulfonyl-phenyl)benzamide
CID 16252377
4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[6-(4-sulfamoylphenoxy)hexyl]benzamide
CID 155565372
4-[[4-[(2-Methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
CID 3939714
1-(4-Chlorobenzenesulfonyl)-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 16014656
5-[benzyl(methyl)sulfamoyl]-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 16034102

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide (CID 2548470) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide?
The InChIKey is QGHNQHYFUFNRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O4S/c1-12-9-19(20(30-2)11-16(12)22)25-21(27)13-3-5-14(6-4-13)26-31(28,29)15-7-8-17(23)18(24)10-15/h3-11,26H,1-2H3,(H,25,27).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide has a molecular weight of 466.89 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2548470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).