2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide

C23H22ClFN2O5S — CID 55947799

IUPAC2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1OCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C23H22ClFN2O5S/c1-27(13-14-32-22-6-4-3-5-21(22)31-2)23(28)19-15-18(11-12-20(19)24)33(29,30)26-17-9-7-16(25)8-10-17/h3-12,15,26H,13-14H2,1-2H3
InChIKeyICDGBGSBLDHOTN-UHFFFAOYSA-N
MW492.96 g/mol
LogP4.44
Rot. Bonds9

About 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide

2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide (PubChem CID 55947799) has the molecular formula C23H22ClFN2O5S and a molecular weight of 492.96 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
PubChem CID55947799
Molecular FormulaC23H22ClFN2O5S
Molecular Weight492.96 g/mol
Exact Mass492.09
IUPAC Name2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1OCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C23H22ClFN2O5S/c1-27(13-14-32-22-6-4-3-5-21(22)31-2)23(28)19-15-18(11-12-20(19)24)33(29,30)26-17-9-7-16(25)8-10-17/h3-12,15,26H,13-14H2,1-2H3
InChIKeyICDGBGSBLDHOTN-UHFFFAOYSA-N
XLogP4.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 32904267
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009499
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2332788
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 55948179
2-bromo-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55897331
2-chloro-N-[2-(2-methoxyphenoxy)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46558858
N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035449
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 24516626
N-[2-(2-chlorophenoxy)ethyl]-5-(cyclopropylsulfamoyl)-N,2-dimethylbenzamide
CID 18132099
5-[(4-fluorophenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)-2-methylbenzamide
CID 43010418
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide (CID 55947799) is 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide is COc1ccccc1OCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide?
The InChIKey is ICDGBGSBLDHOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O5S/c1-27(13-14-32-22-6-4-3-5-21(22)31-2)23(28)19-15-18(11-12-20(19)24)33(29,30)26-17-9-7-16(25)8-10-17/h3-12,15,26H,13-14H2,1-2H3.
What are the key properties of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide?
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide has a molecular weight of 492.96 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 55947799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).