N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide

C11H14N2O2S — CID 6012000

IUPACN-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccccc1)C1CC1
InChIInChI=1S/C11H14N2O2S/c1-9(10-7-8-10)12-13-16(14,15)11-5-3-2-4-6-11/h2-6,10,13H,7-8H2,1H3/b12-9+
InChIKeyMMBXYSVEGUADDH-FMIVXFBMSA-N
MW238.31 g/mol
LogP1.75
Rot. Bonds4

About N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide

N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide (PubChem CID 6012000) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide
PubChem CID6012000
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccccc1)C1CC1
InChIInChI=1S/C11H14N2O2S/c1-9(10-7-8-10)12-13-16(14,15)11-5-3-2-4-6-11/h2-6,10,13H,7-8H2,1H3/b12-9+
InChIKeyMMBXYSVEGUADDH-FMIVXFBMSA-N
XLogP1.75
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629
N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide
CID 177489049
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
CID 136656380
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
N-[(E)-1-(6-methyl-2,4-dioxopyran-3-yl)ethylideneamino]benzenesulfonamide
CID 172958474
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
N-[(E)-1-cyclohexylethylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 46803826
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide (CID 6012000) is N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide is C/C(=N\NS(=O)(=O)c1ccccc1)C1CC1.
What is the InChIKey of N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide?
The InChIKey is MMBXYSVEGUADDH-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-9(10-7-8-10)12-13-16(14,15)11-5-3-2-4-6-11/h2-6,10,13H,7-8H2,1H3/b12-9+.
What are the key properties of N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide?
N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide has a molecular weight of 238.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide is sourced from PubChem (CID 6012000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).