N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

C14H13ClN2O3S — CID 135473162

IUPACN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10-2-5-13(6-3-10)21(19,20)17-16-9-11-8-12(15)4-7-14(11)18/h2-9,17-18H,1H3/b16-9+
InChIKeyBDJLZLNOWIAPEM-CXUHLZMHSA-N
MW324.79 g/mol
LogP2.67
Rot. Bonds4

About N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 135473162) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID135473162
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10-2-5-13(6-3-10)21(19,20)17-16-9-11-8-12(15)4-7-14(11)18/h2-9,17-18H,1H3/b16-9+
InChIKeyBDJLZLNOWIAPEM-CXUHLZMHSA-N
XLogP2.67
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 135473162) is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is BDJLZLNOWIAPEM-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-10-2-5-13(6-3-10)21(19,20)17-16-9-11-8-12(15)4-7-14(11)18/h2-9,17-18H,1H3/b16-9+.
What are the key properties of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 324.79 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135473162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).