2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide

C17H16Cl2N2O5S — CID 1087710

IUPAC2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O5S/c18-12-10-13(19)16(27(24,25)21-5-7-26-8-6-21)9-11(12)17(23)20-14-3-1-2-4-15(14)22/h1-4,9-10,22H,5-8H2,(H,20,23)
InChIKeyFSLGRBRKNHOUFK-UHFFFAOYSA-N
MW431.30 g/mol
LogP2.97
Rot. Bonds4

About 2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide

2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 1087710) has the molecular formula C17H16Cl2N2O5S and a molecular weight of 431.30 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID1087710
Molecular FormulaC17H16Cl2N2O5S
Molecular Weight431.30 g/mol
Exact Mass430.02
IUPAC Name2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O5S/c18-12-10-13(19)16(27(24,25)21-5-7-26-8-6-21)9-11(12)17(23)20-14-3-1-2-4-15(14)22/h1-4,9-10,22H,5-8H2,(H,20,23)
InChIKeyFSLGRBRKNHOUFK-UHFFFAOYSA-N
XLogP2.97
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2,3-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55345927
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26358776
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 75394614
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527076
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide (CID 1087710) is 2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FSLGRBRKNHOUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5S/c18-12-10-13(19)16(27(24,25)21-5-7-26-8-6-21)9-11(12)17(23)20-14-3-1-2-4-15(14)22/h1-4,9-10,22H,5-8H2,(H,20,23).
What are the key properties of 2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 431.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1087710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).