N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide

C14H14ClNO4S — CID 2980565

IUPACN-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C14H14ClNO4S/c1-2-20-11-4-6-12(7-5-11)21(18,19)16-13-9-10(15)3-8-14(13)17/h3-9,16-17H,2H2,1H3
InChIKeyTZGODJPEBIBRRP-UHFFFAOYSA-N
MW327.79 g/mol
LogP3.25
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide

N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide (PubChem CID 2980565) has the molecular formula C14H14ClNO4S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide
PubChem CID2980565
Molecular FormulaC14H14ClNO4S
Molecular Weight327.79 g/mol
Exact Mass327.03
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C14H14ClNO4S/c1-2-20-11-4-6-12(7-5-11)21(18,19)16-13-9-10(15)3-8-14(13)17/h3-9,16-17H,2H2,1H3
InChIKeyTZGODJPEBIBRRP-UHFFFAOYSA-N
XLogP3.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide (CID 2980565) is N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide?
The InChIKey is TZGODJPEBIBRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S/c1-2-20-11-4-6-12(7-5-11)21(18,19)16-13-9-10(15)3-8-14(13)17/h3-9,16-17H,2H2,1H3.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide?
N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 2980565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).