2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C19H22ClN3O5S — CID 126962122

IUPAC2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H22ClN3O5S/c1-22(17-11-14(20)5-6-18(17)24)13-19(25)21-15-3-2-4-16(12-15)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10,13H2,1H3,(H,21,25)
InChIKeyYJOFVIHYKQOFIW-UHFFFAOYSA-N
MW439.92 g/mol
LogP2.14
Rot. Bonds6

About 2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 126962122) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID126962122
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC Name2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H22ClN3O5S/c1-22(17-11-14(20)5-6-18(17)24)13-19(25)21-15-3-2-4-16(12-15)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10,13H2,1H3,(H,21,25)
InChIKeyYJOFVIHYKQOFIW-UHFFFAOYSA-N
XLogP2.14
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940113
2-((5-Chloro-2-hydroxyphenyl)amino)-N-(3-(morpholinosulfonyl)phenyl)propanamide (7c)
CID 126962123
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4280225
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4373523
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4378126
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4797029
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4850448
N-(5-chloro-2-methoxyphenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 4879349
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 16300182
2-((5-Chloro-2-hydroxyphenyl)amino)-N-(3-(piperidin-1-ylsulfonyl)phenyl)propanamide (7h)
CID 126962128
ethyl 4-[N-(5-chloro-2-methoxyphenyl)-N-(phenylsulfonyl)glycyl]piperazine-1-carboxylate
CID 1137865
N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 1372190

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 126962122) is 2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O.
What is the InChIKey of 2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is YJOFVIHYKQOFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-22(17-11-14(20)5-6-18(17)24)13-19(25)21-15-3-2-4-16(12-15)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10,13H2,1H3,(H,21,25).
What are the key properties of 2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 439.92 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxy-N-methylanilino)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 126962122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).