N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide

C15H15ClN2O5S — CID 136873554

IUPACN-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1OC
InChIInChI=1S/C15H15ClN2O5S/c1-22-14-6-4-11(8-15(14)23-2)24(20,21)18-17-9-10-3-5-13(19)12(16)7-10/h3-9,18-19H,1-2H3/b17-9+
InChIKeyXMDYBTNWQLDUDW-RQZCQDPDSA-N
MW370.81 g/mol
LogP2.38
Rot. Bonds6

About N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide

N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide (PubChem CID 136873554) has the molecular formula C15H15ClN2O5S and a molecular weight of 370.81 g/mol. Its IUPAC name is N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
PubChem CID136873554
Molecular FormulaC15H15ClN2O5S
Molecular Weight370.81 g/mol
Exact Mass370.04
IUPAC NameN-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1OC
InChIInChI=1S/C15H15ClN2O5S/c1-22-14-6-4-11(8-15(14)23-2)24(20,21)18-17-9-10-3-5-13(19)12(16)7-10/h3-9,18-19H,1-2H3/b17-9+
InChIKeyXMDYBTNWQLDUDW-RQZCQDPDSA-N
XLogP2.38
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135873358
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517434
N-[(E)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6872847
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135958003
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517514
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135795952
3,4-dichloro-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516081
3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110517562
N-[(E)-(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517477
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517529
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517739
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 135647638

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide (CID 136873554) is N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1OC.
What is the InChIKey of N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is XMDYBTNWQLDUDW-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15ClN2O5S/c1-22-14-6-4-11(8-15(14)23-2)24(20,21)18-17-9-10-3-5-13(19)12(16)7-10/h3-9,18-19H,1-2H3/b17-9+.
What are the key properties of N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 370.81 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 136873554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).