4-(4-aminophenyl)sulfonyl-3-chlorophenol

C12H10ClNO3S — CID 14547474

IUPAC4-(4-aminophenyl)sulfonyl-3-chlorophenol
SMILESNc1ccc(S(=O)(=O)c2ccc(O)cc2Cl)cc1
InChIInChI=1S/C12H10ClNO3S/c13-11-7-9(15)3-6-12(11)18(16,17)10-4-1-8(14)2-5-10/h1-7,15H,14H2
InChIKeyPTQIENIAWRGNJZ-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.46
Rot. Bonds2

About 4-(4-aminophenyl)sulfonyl-3-chlorophenol

4-(4-aminophenyl)sulfonyl-3-chlorophenol (PubChem CID 14547474) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonyl-3-chlorophenol.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonyl-3-chlorophenol
PubChem CID14547474
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name4-(4-aminophenyl)sulfonyl-3-chlorophenol
SMILESNc1ccc(S(=O)(=O)c2ccc(O)cc2Cl)cc1
InChIInChI=1S/C12H10ClNO3S/c13-11-7-9(15)3-6-12(11)18(16,17)10-4-1-8(14)2-5-10/h1-7,15H,14H2
InChIKeyPTQIENIAWRGNJZ-UHFFFAOYSA-N
XLogP2.46
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonyl-3-chlorophenol?
The IUPAC name of 4-(4-aminophenyl)sulfonyl-3-chlorophenol (CID 14547474) is 4-(4-aminophenyl)sulfonyl-3-chlorophenol.
What is the SMILES notation for 4-(4-aminophenyl)sulfonyl-3-chlorophenol?
The canonical SMILES for 4-(4-aminophenyl)sulfonyl-3-chlorophenol is Nc1ccc(S(=O)(=O)c2ccc(O)cc2Cl)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfonyl-3-chlorophenol?
The InChIKey is PTQIENIAWRGNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c13-11-7-9(15)3-6-12(11)18(16,17)10-4-1-8(14)2-5-10/h1-7,15H,14H2.
What are the key properties of 4-(4-aminophenyl)sulfonyl-3-chlorophenol?
4-(4-aminophenyl)sulfonyl-3-chlorophenol has a molecular weight of 283.74 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonyl-3-chlorophenol is sourced from PubChem (CID 14547474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).