5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide

C14H14ClNO4S — CID 138046171

IUPAC5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H14ClNO4S/c1-2-20-13-8-3-10(15)9-14(13)21(18,19)16-11-4-6-12(17)7-5-11/h3-9,16-17H,2H2,1H3
InChIKeyUSLSVRUKSMFZQB-UHFFFAOYSA-N
MW327.79 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide

5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide (PubChem CID 138046171) has the molecular formula C14H14ClNO4S and a molecular weight of 327.79 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide
PubChem CID138046171
Molecular FormulaC14H14ClNO4S
Molecular Weight327.79 g/mol
Exact Mass327.03
IUPAC Name5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H14ClNO4S/c1-2-20-13-8-3-10(15)9-14(13)21(18,19)16-11-4-6-12(17)7-5-11/h3-9,16-17H,2H2,1H3
InChIKeyUSLSVRUKSMFZQB-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': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
CID 15943963
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841
4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 60520999
1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
CID 118729548
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890314
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890368
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide
CID 154755060

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide (CID 138046171) is 5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide is CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1.
What is the InChIKey of 5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is USLSVRUKSMFZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S/c1-2-20-13-8-3-10(15)9-14(13)21(18,19)16-11-4-6-12(17)7-5-11/h3-9,16-17H,2H2,1H3.
What are the key properties of 5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide?
5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide 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 5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 138046171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).