3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide

C22H28ClN3O5S — CID 43044408

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C22H28ClN3O5S/c1-15-13-26(14-16(2)31-15)10-9-24-22(27)17-5-4-6-19(11-17)32(28,29)25-20-12-18(23)7-8-21(20)30-3/h4-8,11-12,15-16,25H,9-10,13-14H2,1-3H3,(H,24,27)
InChIKeyBOZPDRSBZWFFLB-UHFFFAOYSA-N
MW482.00 g/mol
LogP2.99
Rot. Bonds8

About 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide (PubChem CID 43044408) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
PubChem CID43044408
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C22H28ClN3O5S/c1-15-13-26(14-16(2)31-15)10-9-24-22(27)17-5-4-6-19(11-17)32(28,29)25-20-12-18(23)7-8-21(20)30-3/h4-8,11-12,15-16,25H,9-10,13-14H2,1-3H3,(H,24,27)
InChIKeyBOZPDRSBZWFFLB-UHFFFAOYSA-N
XLogP2.99
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 31737106
3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
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3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43057311
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
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CID 24816551
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3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
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CID 109063687
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-ethylphenyl)benzamide
CID 46540697
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 46601321
N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide (CID 43044408) is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCN2CC(C)OC(C)C2)c1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The InChIKey is BOZPDRSBZWFFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c1-15-13-26(14-16(2)31-15)10-9-24-22(27)17-5-4-6-19(11-17)32(28,29)25-20-12-18(23)7-8-21(20)30-3/h4-8,11-12,15-16,25H,9-10,13-14H2,1-3H3,(H,24,27).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide has a molecular weight of 482.00 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide is sourced from PubChem (CID 43044408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).