N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide

C18H20ClN3O4S — CID 2100353

IUPACN-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-13(23)20-15-3-5-16(6-4-15)27(24,25)21-17-12-14(19)2-7-18(17)22-8-10-26-11-9-22/h2-7,12,21H,8-11H2,1H3,(H,20,23)
InChIKeyLIZQSHIGMOBWCQ-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.94
Rot. Bonds5

About N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide

N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 2100353) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID2100353
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC NameN-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-13(23)20-15-3-5-16(6-4-15)27(24,25)21-17-12-14(19)2-7-18(17)22-8-10-26-11-9-22/h2-7,12,21H,8-11H2,1H3,(H,20,23)
InChIKeyLIZQSHIGMOBWCQ-UHFFFAOYSA-N
XLogP2.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274479
3-amino-N-(2,5-dichlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3866644
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2105999
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677684
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685618
N-(2-chloro-4-{[4-(2-morpholinoethyl)piperazino]sulfonyl}phenyl)acetamide
CID 2812251
3-chloro-4-fluoro-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813491
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412
N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide
CID 4258041
1-(3-Chlorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea
CID 4337596

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide (CID 2100353) is N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is LIZQSHIGMOBWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-13(23)20-15-3-5-16(6-4-15)27(24,25)21-17-12-14(19)2-7-18(17)22-8-10-26-11-9-22/h2-7,12,21H,8-11H2,1H3,(H,20,23).
What are the key properties of N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide?
N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 409.90 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2100353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).