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

C17H18Cl2N2O3S — CID 135596129

IUPAC2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(/N=C/c2cc(Cl)ccc2O)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O3S/c1-3-21(4-2)25(23,24)17-10-14(6-7-15(17)19)20-11-12-9-13(18)5-8-16(12)22/h5-11,22H,3-4H2,1-2H3/b20-11+
InChIKeyCPGDSVJTNZXRBL-RGVLZGJSSA-N
MW401.32 g/mol
LogP4.48
Rot. Bonds6

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

2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide (PubChem CID 135596129) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
PubChem CID135596129
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(/N=C/c2cc(Cl)ccc2O)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O3S/c1-3-21(4-2)25(23,24)17-10-14(6-7-15(17)19)20-11-12-9-13(18)5-8-16(12)22/h5-11,22H,3-4H2,1-2H3/b20-11+
InChIKeyCPGDSVJTNZXRBL-RGVLZGJSSA-N
XLogP4.48
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide (CID 135596129) is 2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(/N=C/c2cc(Cl)ccc2O)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The InChIKey is CPGDSVJTNZXRBL-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-3-21(4-2)25(23,24)17-10-14(6-7-15(17)19)20-11-12-9-13(18)5-8-16(12)22/h5-11,22H,3-4H2,1-2H3/b20-11+.
What are the key properties of 2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide has a molecular weight of 401.32 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 135596129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).