4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide

C15H24N2O3S — CID 3450760

IUPAC4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=C(C)CCC(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-20-14-8-10-15(11-9-14)21(18,19)17-16-13(4)7-6-12(2)3/h8-12,17H,5-7H2,1-4H3
InChIKeyOKHOEFONLWQSMC-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.18
Rot. Bonds8

About 4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide

4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide (PubChem CID 3450760) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide
PubChem CID3450760
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=C(C)CCC(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-20-14-8-10-15(11-9-14)21(18,19)17-16-13(4)7-6-12(2)3/h8-12,17H,5-7H2,1-4H3
InChIKeyOKHOEFONLWQSMC-UHFFFAOYSA-N
XLogP3.18
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide
CID 4279962
4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide
CID 9078161
2-[(4-ethoxyphenyl)sulfonylamino]-5-methylhexanoic acid
CID 18801854
3-[4-[(Z)-N-[(4-ethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoic acid
CID 9391439
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide
CID 9217508
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-ethoxybenzenesulfonamide
CID 135683893
4-[(Z)-N-[(4-ethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 29354790
ethyl 5-[N-[(4-ethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 5179469
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
3-[(4-ethoxyphenyl)sulfonyl-propan-2-ylamino]propanoic acid
CID 60829835
4-bromo-N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]benzenesulfonamide
CID 9120965

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide (CID 3450760) is 4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NN=C(C)CCC(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide?
The InChIKey is OKHOEFONLWQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-20-14-8-10-15(11-9-14)21(18,19)17-16-13(4)7-6-12(2)3/h8-12,17H,5-7H2,1-4H3.
What are the key properties of 4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide?
4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide is sourced from PubChem (CID 3450760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).