4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol

C13H12ClNO3S — CID 81201929

IUPAC4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol
SMILESNc1ccc(S(=O)(=O)Cc2ccc(O)cc2)cc1Cl
InChIInChI=1S/C13H12ClNO3S/c14-12-7-11(5-6-13(12)15)19(17,18)8-9-1-3-10(16)4-2-9/h1-7,16H,8,15H2
InChIKeyFLHXRELHIRDDJX-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.60
Rot. Bonds3

About 4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol

4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol (PubChem CID 81201929) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol.

Molecular Properties

Compound Name4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol
PubChem CID81201929
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol
SMILESNc1ccc(S(=O)(=O)Cc2ccc(O)cc2)cc1Cl
InChIInChI=1S/C13H12ClNO3S/c14-12-7-11(5-6-13(12)15)19(17,18)8-9-1-3-10(16)4-2-9/h1-7,16H,8,15H2
InChIKeyFLHXRELHIRDDJX-UHFFFAOYSA-N
XLogP2.60
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4-hydroxyphenyl)methylsulfonyl]phenyl]sulfonylmethyl]phenol
CID 70503031
2-chloro-4-[(2,4,6-trimethylphenyl)methylsulfonyl]aniline
CID 81202555
2-chloro-4-(2-methylsulfonylethylsulfonyl)aniline
CID 81202138
4-[(3-chloro-4-fluorophenyl)methylsulfonyl]-2-fluoroaniline
CID 103042395
4-[(3,4-dichlorophenyl)methylsulfonyl]-2-fluoroaniline
CID 81187314
4-[(3,4-dichlorophenyl)methylsulfonyl]-2-methylaniline
CID 81181425
2-chloro-4-[(1-methylpyrazol-3-yl)methylsulfonyl]aniline
CID 82881981
2-chloro-4-(2-phenylethylsulfonyl)aniline
CID 81201936
2-chloro-4-[(3-chloro-2-fluorophenyl)methylsulfonyl]aniline
CID 102864660
4-[(3-methylphenyl)sulfonylmethyl]phenol
CID 166449787
2-chloro-4-[(4-chlorophenyl)methylsulfonyl]benzoic acid
CID 107090467
3-(4-amino-3-chlorophenyl)sulfonylpropanenitrile
CID 154164908

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol?
The IUPAC name of 4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol (CID 81201929) is 4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol.
What is the SMILES notation for 4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol?
The canonical SMILES for 4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol is Nc1ccc(S(=O)(=O)Cc2ccc(O)cc2)cc1Cl.
What is the InChIKey of 4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol?
The InChIKey is FLHXRELHIRDDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c14-12-7-11(5-6-13(12)15)19(17,18)8-9-1-3-10(16)4-2-9/h1-7,16H,8,15H2.
What are the key properties of 4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol?
4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol has a molecular weight of 297.76 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-chlorophenyl)sulfonylmethyl]phenol is sourced from PubChem (CID 81201929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).