5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide

C15H15ClN2O3S — CID 110517043

IUPAC5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1ccccc1C
InChIInChI=1S/C15H15ClN2O3S/c1-11-5-3-4-6-12(11)10-17-18-22(19,20)15-9-13(16)7-8-14(15)21-2/h3-10,18H,1-2H3/b17-10+
InChIKeyKPOWOGROCJZLHO-LICLKQGHSA-N
MW338.82 g/mol
LogP2.97
Rot. Bonds5

About 5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide

5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 110517043) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
PubChem CID110517043
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1ccccc1C
InChIInChI=1S/C15H15ClN2O3S/c1-11-5-3-4-6-12(11)10-17-18-22(19,20)15-9-13(16)7-8-14(15)21-2/h3-10,18H,1-2H3/b17-10+
InChIKeyKPOWOGROCJZLHO-LICLKQGHSA-N
XLogP2.97
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.97
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

2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516616
5-chloro-2-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516949
5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517070
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516512
5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 110517051
5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide
CID 110516997
5-chloro-2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598909
5-chloro-2-methoxy-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110517026
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647812
CID 70601990
CID 70601990
3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline
CID 110505388
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110518068

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide (CID 110517043) is 5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1ccccc1C.
What is the InChIKey of 5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is KPOWOGROCJZLHO-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-11-5-3-4-6-12(11)10-17-18-22(19,20)15-9-13(16)7-8-14(15)21-2/h3-10,18H,1-2H3/b17-10+.
What are the key properties of 5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 338.82 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110517043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).