N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

C21H18ClFN2O3S — CID 29411176

IUPACN-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-14-2-5-16(22)13-20(14)24-21(26)12-15-3-8-18(9-4-15)25-29(27,28)19-10-6-17(23)7-11-19/h2-11,13,25H,12H2,1H3,(H,24,26)
InChIKeyHSZSQSHRULLKSD-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.77
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 29411176) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
PubChem CID29411176
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-14-2-5-16(22)13-20(14)24-21(26)12-15-3-8-18(9-4-15)25-29(27,28)19-10-6-17(23)7-11-19/h2-11,13,25H,12H2,1H3,(H,24,26)
InChIKeyHSZSQSHRULLKSD-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

N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 30282803
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-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 51549535
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
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-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60575252
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 3428326
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (CID 29411176) is N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is Cc1ccc(Cl)cc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is HSZSQSHRULLKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-14-2-5-16(22)13-20(14)24-21(26)12-15-3-8-18(9-4-15)25-29(27,28)19-10-6-17(23)7-11-19/h2-11,13,25H,12H2,1H3,(H,24,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
N-(5-chloro-2-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-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 29411176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).