N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide

C19H20ClN3O5S — CID 137031865

IUPACN-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
InChIKeyNKUDGJUBIVEDTF-UHFFFAOYSA-N
MW437.91 g/mol
LogP2.22
Rot. Bonds5

About N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide

N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 137031865) has the molecular formula C19H20ClN3O5S and a molecular weight of 437.91 g/mol. Its IUPAC name is N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID137031865
Molecular FormulaC19H20ClN3O5S
Molecular Weight437.91 g/mol
Exact Mass437.08
IUPAC NameN-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
InChIKeyNKUDGJUBIVEDTF-UHFFFAOYSA-N
XLogP2.22
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 137031865) is N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide is CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NKUDGJUBIVEDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25).
What are the key properties of N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 437.91 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 137031865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).