N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

C21H18ClFN2O3S — CID 30282803

IUPACN-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(Cl)c1
InChIInChI=1S/C21H18ClFN2O3S/c1-14-2-11-20(19(22)12-14)24-21(26)13-15-3-7-17(8-4-15)25-29(27,28)18-9-5-16(23)6-10-18/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyZRHJOTRHSLHWEF-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.77
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 30282803) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
PubChem CID30282803
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(Cl)c1
InChIInChI=1S/C21H18ClFN2O3S/c1-14-2-11-20(19(22)12-14)24-21(26)13-15-3-7-17(8-4-15)25-29(27,28)18-9-5-16(23)6-10-18/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyZRHJOTRHSLHWEF-UHFFFAOYSA-N
XLogP4.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 29411176
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60575252
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759267
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 51549535
2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]-N-propan-2-ylbenzamide
CID 34556664
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (CID 30282803) is N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is Cc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is ZRHJOTRHSLHWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-14-2-11-20(19(22)12-14)24-21(26)13-15-3-7-17(8-4-15)25-29(27,28)18-9-5-16(23)6-10-18/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 432.90 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 30282803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).