3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide

C22H21ClN2O5S — CID 55655492

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(O)CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H21ClN2O5S/c1-30-17-11-9-15(10-12-17)21(26)14-24-22(27)16-5-4-6-18(13-16)31(28,29)25-20-8-3-2-7-19(20)23/h2-13,21,25-26H,14H2,1H3,(H,24,27)
InChIKeyWLJDMBNFPBYNAN-UHFFFAOYSA-N
MW460.94 g/mol
LogP3.61
Rot. Bonds8

About 3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 55655492) has the molecular formula C22H21ClN2O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID55655492
Molecular FormulaC22H21ClN2O5S
Molecular Weight460.94 g/mol
Exact Mass460.09
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(O)CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H21ClN2O5S/c1-30-17-11-9-15(10-12-17)21(26)14-24-22(27)16-5-4-6-18(13-16)31(28,29)25-20-8-3-2-7-19(20)23/h2-13,21,25-26H,14H2,1H3,(H,24,27)
InChIKeyWLJDMBNFPBYNAN-UHFFFAOYSA-N
XLogP3.61
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
CID 97012345
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 51114512
3-[(2-chlorophenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 30859194
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 55655576
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
3-[(2-chlorophenyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 32735630
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 34820303

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide (CID 55655492) is 3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(O)CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is WLJDMBNFPBYNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O5S/c1-30-17-11-9-15(10-12-17)21(26)14-24-22(27)16-5-4-6-18(13-16)31(28,29)25-20-8-3-2-7-19(20)23/h2-13,21,25-26H,14H2,1H3,(H,24,27).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 460.94 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55655492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).