N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide

C10H12N2O3S — CID 6371801

IUPACN-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
SMILESCC(=O)/C(C)=N\NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O3S/c1-8(9(2)13)11-12-16(14,15)10-6-4-3-5-7-10/h3-7,12H,1-2H3/b11-8-
InChIKeyLQVHWUIFZOLAFE-FLIBITNWSA-N
MW240.28 g/mol
LogP0.93
Rot. Bonds4

About N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide

N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide (PubChem CID 6371801) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
PubChem CID6371801
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
SMILESCC(=O)/C(C)=N\NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O3S/c1-8(9(2)13)11-12-16(14,15)10-6-4-3-5-7-10/h3-7,12H,1-2H3/b11-8-
InChIKeyLQVHWUIFZOLAFE-FLIBITNWSA-N
XLogP0.93
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
CID 136656380
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide
CID 6012000
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
CID 3418531
N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide
CID 5397914
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-nitrosobenzenesulfonamide
CID 57254362
ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate
CID 5192357

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide (CID 6371801) is N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide is CC(=O)/C(C)=N\NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide?
The InChIKey is LQVHWUIFZOLAFE-FLIBITNWSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-8(9(2)13)11-12-16(14,15)10-6-4-3-5-7-10/h3-7,12H,1-2H3/b11-8-.
What are the key properties of N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide?
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide has a molecular weight of 240.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide is sourced from PubChem (CID 6371801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).