2-(butylideneamino)benzenesulfonamide

C10H14N2O2S — CID 119094877

IUPAC2-(butylideneamino)benzenesulfonamide
SMILESCCC/C=N/c1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H14N2O2S/c1-2-3-8-12-9-6-4-5-7-10(9)15(11,13)14/h4-8H,2-3H2,1H3,(H2,11,13,14)/b12-8+
InChIKeyQPPVMBMDIIQCAB-XYOKQWHBSA-N
MW226.30 g/mol
LogP1.84
Rot. Bonds4

About 2-(butylideneamino)benzenesulfonamide

2-(butylideneamino)benzenesulfonamide (PubChem CID 119094877) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(butylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(butylideneamino)benzenesulfonamide
PubChem CID119094877
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(butylideneamino)benzenesulfonamide
SMILESCCC/C=N/c1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H14N2O2S/c1-2-3-8-12-9-6-4-5-7-10(9)15(11,13)14/h4-8H,2-3H2,1H3,(H2,11,13,14)/b12-8+
InChIKeyQPPVMBMDIIQCAB-XYOKQWHBSA-N
XLogP1.84
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylbenzenesulfonamide
CID 6924
chloro N-(2-sulfamoylphenyl)ethanimidate
CID 70342933
2-(2-hydroxypentyl)benzenesulfonamide
CID 63201594
2-nonylbenzenesulfonamide
CID 70447042
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzenesulfonamide
CID 175087049
2-non-1-enoxybenzenesulfonamide
CID 175911128
2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide
CID 6186872
2-prop-2-enoxybenzenesulfonamide
CID 13321757
2-(2-butoxyethylamino)benzenesulfonamide
CID 61169915
2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide
CID 43269908
2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide
CID 113465908
2-sulfanylbenzenesulfonamide
CID 11041532

Frequently Asked Questions

What is the IUPAC name of 2-(butylideneamino)benzenesulfonamide?
The IUPAC name of 2-(butylideneamino)benzenesulfonamide (CID 119094877) is 2-(butylideneamino)benzenesulfonamide.
What is the SMILES notation for 2-(butylideneamino)benzenesulfonamide?
The canonical SMILES for 2-(butylideneamino)benzenesulfonamide is CCC/C=N/c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(butylideneamino)benzenesulfonamide?
The InChIKey is QPPVMBMDIIQCAB-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-3-8-12-9-6-4-5-7-10(9)15(11,13)14/h4-8H,2-3H2,1H3,(H2,11,13,14)/b12-8+.
What are the key properties of 2-(butylideneamino)benzenesulfonamide?
2-(butylideneamino)benzenesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylideneamino)benzenesulfonamide is sourced from PubChem (CID 119094877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).