N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

C17H17ClN2O5S — CID 1217072

IUPACN-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17ClN2O5S/c18-13-4-5-16(21)15(11-13)19-17(22)12-2-1-3-14(10-12)26(23,24)20-6-8-25-9-7-20/h1-5,10-11,21H,6-9H2,(H,19,22)
InChIKeyNZUANQHZMJYUJR-UHFFFAOYSA-N
MW396.85 g/mol
LogP2.32
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1217072) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1217072
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17ClN2O5S/c18-13-4-5-16(21)15(11-13)19-17(22)12-2-1-3-14(10-12)26(23,24)20-6-8-25-9-7-20/h1-5,10-11,21H,6-9H2,(H,19,22)
InChIKeyNZUANQHZMJYUJR-UHFFFAOYSA-N
XLogP2.32
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1217072) is N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cc(Cl)ccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NZUANQHZMJYUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c18-13-4-5-16(21)15(11-13)19-17(22)12-2-1-3-14(10-12)26(23,24)20-6-8-25-9-7-20/h1-5,10-11,21H,6-9H2,(H,19,22).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 396.85 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1217072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).