N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide

C10H13N3O3S — CID 136656380

IUPACN-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
SMILESCC(=N/O)/C(C)=N\NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13N3O3S/c1-8(9(2)12-14)11-13-17(15,16)10-6-4-3-5-7-10/h3-7,13-14H,1-2H3/b11-8-,12-9-
InChIKeyBOYIMHSOVOSVET-QAHSQZNUSA-N
MW255.30 g/mol
LogP1.19
Rot. Bonds4

About N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide

N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide (PubChem CID 136656380) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
PubChem CID136656380
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
SMILESCC(=N/O)/C(C)=N\NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13N3O3S/c1-8(9(2)12-14)11-13-17(15,16)10-6-4-3-5-7-10/h3-7,13-14H,1-2H3/b11-8-,12-9-
InChIKeyBOYIMHSOVOSVET-QAHSQZNUSA-N
XLogP1.19
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide
CID 5397914
N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 136734384
N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide
CID 6012000
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
CID 3418531
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-nitrosobenzenesulfonamide
CID 57254362

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide?
The IUPAC name of N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide (CID 136656380) is N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide is CC(=N/O)/C(C)=N\NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide?
The InChIKey is BOYIMHSOVOSVET-QAHSQZNUSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-8(9(2)12-14)11-13-17(15,16)10-6-4-3-5-7-10/h3-7,13-14H,1-2H3/b11-8-,12-9-.
What are the key properties of N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide?
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide has a molecular weight of 255.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 136656380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).