N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C22H21ClN2O5S — CID 51114512

IUPACN-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C22H21ClN2O5S/c1-30-21-11-3-2-10-19(21)25-31(28,29)18-9-5-7-16(13-18)22(27)24-14-20(26)15-6-4-8-17(23)12-15/h2-13,20,25-26H,14H2,1H3,(H,24,27)
InChIKeyAFHXZUUBETYGKG-UHFFFAOYSA-N
MW460.94 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 51114512) has the molecular formula C22H21ClN2O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID51114512
Molecular FormulaC22H21ClN2O5S
Molecular Weight460.94 g/mol
Exact Mass460.09
IUPAC NameN-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C22H21ClN2O5S/c1-30-21-11-3-2-10-19(21)25-31(28,29)18-9-5-7-16(13-18)22(27)24-14-20(26)15-6-4-8-17(23)12-15/h2-13,20,25-26H,14H2,1H3,(H,24,27)
InChIKeyAFHXZUUBETYGKG-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-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 55655492
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42917067
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
3-(1-hydroxyethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 42946409
3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 55394039
3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide
CID 18928962
N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 24622460

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 51114512) is N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC(O)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is AFHXZUUBETYGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O5S/c1-30-21-11-3-2-10-19(21)25-31(28,29)18-9-5-7-16(13-18)22(27)24-14-20(26)15-6-4-8-17(23)12-15/h2-13,20,25-26H,14H2,1H3,(H,24,27).
What are the key properties of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]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 N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 51114512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).