N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide

C21H18ClFN2O3S — CID 26594107

IUPACN-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-25(14-16-4-2-3-5-20(16)22)21(26)15-6-10-18(11-7-15)24-29(27,28)19-12-8-17(23)9-13-19/h2-13,24H,14H2,1H3
InChIKeyNVPQLBHCSPNELW-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.55
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide

N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 26594107) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
PubChem CID26594107
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-25(14-16-4-2-3-5-20(16)22)21(26)15-6-10-18(11-7-15)24-29(27,28)19-12-8-17(23)9-13-19/h2-13,24H,14H2,1H3
InChIKeyNVPQLBHCSPNELW-UHFFFAOYSA-N
XLogP4.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide
CID 2687844
N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9409340
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 24546703
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
N-[(2-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzamide
CID 62242071
4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 24551665
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24544336
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 17482618

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide (CID 26594107) is N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide is CN(Cc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is NVPQLBHCSPNELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-25(14-16-4-2-3-5-20(16)22)21(26)15-6-10-18(11-7-15)24-29(27,28)19-12-8-17(23)9-13-19/h2-13,24H,14H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 432.90 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 26594107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).