(3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol

C18H22N4O4S — CID 154987149

IUPAC(3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol
SMILESC/C(=N\NC(O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccnc1
InChIInChI=1S/C18H22N4O4S/c1-14(16-5-3-7-19-13-16)20-21-18(23)15-4-2-6-17(12-15)27(24,25)22-8-10-26-11-9-22/h2-7,12-13,18,21,23H,8-11H2,1H3/b20-14+
InChIKeyBNZXFEOPXIPMLY-XSFVSMFZSA-N
MW390.47 g/mol
LogP1.11
Rot. Bonds6

About (3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol

(3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol (PubChem CID 154987149) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol
PubChem CID154987149
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol
SMILESC/C(=N\NC(O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccnc1
InChIInChI=1S/C18H22N4O4S/c1-14(16-5-3-7-19-13-16)20-21-18(23)15-4-2-6-17(12-15)27(24,25)22-8-10-26-11-9-22/h2-7,12-13,18,21,23H,8-11H2,1H3/b20-14+
InChIKeyBNZXFEOPXIPMLY-XSFVSMFZSA-N
XLogP1.11
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 6092193
N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
CID 60872840
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697164
N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162988
N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
CID 172923742
3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193124
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4852314

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol (CID 154987149) is (3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol is C/C(=N\NC(O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccnc1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol?
The InChIKey is BNZXFEOPXIPMLY-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-14(16-5-3-7-19-13-16)20-21-18(23)15-4-2-6-17(12-15)27(24,25)22-8-10-26-11-9-22/h2-7,12-13,18,21,23H,8-11H2,1H3/b20-14+.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol?
(3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol has a molecular weight of 390.47 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]methanol is sourced from PubChem (CID 154987149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).