5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide

C20H25N3O4S — CID 8978679

IUPAC5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
SMILESCC[C@@H](C)/C(C)=N\NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O
InChIInChI=1S/C20H25N3O4S/c1-4-14(2)15(3)22-23-20(25)18-12-17(10-11-19(18)24)28(26,27)21-13-16-8-6-5-7-9-16/h5-12,14,21,24H,4,13H2,1-3H3,(H,23,25)/b22-15-/t14-/m1/s1
InChIKeyGNZCJBQDHWVCKA-HHSBIGSDSA-N
MW403.50 g/mol
LogP3.02
Rot. Bonds8

About 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide

5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide (PubChem CID 8978679) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
PubChem CID8978679
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
SMILESCC[C@@H](C)/C(C)=N\NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O
InChIInChI=1S/C20H25N3O4S/c1-4-14(2)15(3)22-23-20(25)18-12-17(10-11-19(18)24)28(26,27)21-13-16-8-6-5-7-9-16/h5-12,14,21,24H,4,13H2,1-3H3,(H,23,25)/b22-15-/t14-/m1/s1
InChIKeyGNZCJBQDHWVCKA-HHSBIGSDSA-N
XLogP3.02
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9077909
5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 8978682
5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 8978693
5-(benzylsulfamoyl)-2-[[(2R)-butan-2-yl]amino]benzoic acid
CID 99984205
2-bromo-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9016507
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
5-(benzylsulfamoyl)-2-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 112771772
4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664
5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99984343
5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 55948933

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide?
The IUPAC name of 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide (CID 8978679) is 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide is CC[C@@H](C)/C(C)=N\NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O.
What is the InChIKey of 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide?
The InChIKey is GNZCJBQDHWVCKA-HHSBIGSDSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-14(2)15(3)22-23-20(25)18-12-17(10-11-19(18)24)28(26,27)21-13-16-8-6-5-7-9-16/h5-12,14,21,24H,4,13H2,1-3H3,(H,23,25)/b22-15-/t14-/m1/s1.
What are the key properties of 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide?
5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide has a molecular weight of 403.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide is sourced from PubChem (CID 8978679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).