5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide

C16H17ClN2O4S — CID 135758621

IUPAC5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(/N=C/c2cc(Cl)ccc2O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H17ClN2O4S/c1-19(2)24(21,22)16-9-13(5-7-15(16)23-3)18-10-11-8-12(17)4-6-14(11)20/h4-10,20H,1-3H3/b18-10+
InChIKeySGBPGAWUKANNQN-VCHYOVAHSA-N
MW368.84 g/mol
LogP3.06
Rot. Bonds5

About 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide

5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 135758621) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID135758621
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(/N=C/c2cc(Cl)ccc2O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H17ClN2O4S/c1-19(2)24(21,22)16-9-13(5-7-15(16)23-3)18-10-11-8-12(17)4-6-14(11)20/h4-10,20H,1-3H3/b18-10+
InChIKeySGBPGAWUKANNQN-VCHYOVAHSA-N
XLogP3.06
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide (CID 135758621) is 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide is COc1ccc(/N=C/c2cc(Cl)ccc2O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is SGBPGAWUKANNQN-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-19(2)24(21,22)16-9-13(5-7-15(16)23-3)18-10-11-8-12(17)4-6-14(11)20/h4-10,20H,1-3H3/b18-10+.
What are the key properties of 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 368.84 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 135758621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).