4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide

C20H25ClN2O4S — CID 110516295

IUPAC4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H25ClN2O4S/c1-3-4-5-6-13-27-19-12-7-16(14-20(19)26-2)15-22-23-28(24,25)18-10-8-17(21)9-11-18/h7-12,14-15,23H,3-6,13H2,1-2H3/b22-15+
InChIKeyRSMRYMVWWYUJTQ-PXLXIMEGSA-N
MW424.95 g/mol
LogP4.62
Rot. Bonds11

About 4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide

4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 110516295) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID110516295
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H25ClN2O4S/c1-3-4-5-6-13-27-19-12-7-16(14-20(19)26-2)15-22-23-28(24,25)18-10-8-17(21)9-11-18/h7-12,14-15,23H,3-6,13H2,1-2H3/b22-15+
InChIKeyRSMRYMVWWYUJTQ-PXLXIMEGSA-N
XLogP4.62
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 6248419
3,4-dimethoxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517554
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517629
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 3457911
3,4-dichloro-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516081
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509660
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 9073657
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517624
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide (CID 110516295) is 4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide is CCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is RSMRYMVWWYUJTQ-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-3-4-5-6-13-27-19-12-7-16(14-20(19)26-2)15-22-23-28(24,25)18-10-8-17(21)9-11-18/h7-12,14-15,23H,3-6,13H2,1-2H3/b22-15+.
What are the key properties of 4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide?
4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 424.95 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110516295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).