2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride

C13H9ClFNO4S — CID 116814246

IUPAC2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Cl)cc1O
InChIInChI=1S/C13H9ClFNO4S/c14-8-5-6-9(11(17)7-8)13(18)16-10-3-1-2-4-12(10)21(15,19)20/h1-7,17H,(H,16,18)
InChIKeySUGUQNXJYNJTJX-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.96
Rot. Bonds3

About 2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride

2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride (PubChem CID 116814246) has the molecular formula C13H9ClFNO4S and a molecular weight of 329.74 g/mol. Its IUPAC name is 2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride
PubChem CID116814246
Molecular FormulaC13H9ClFNO4S
Molecular Weight329.74 g/mol
Exact Mass328.99
IUPAC Name2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Cl)cc1O
InChIInChI=1S/C13H9ClFNO4S/c14-8-5-6-9(11(17)7-8)13(18)16-10-3-1-2-4-12(10)21(15,19)20/h1-7,17H,(H,16,18)
InChIKeySUGUQNXJYNJTJX-UHFFFAOYSA-N
XLogP2.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride (CID 116814246) is 2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride is O=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Cl)cc1O.
What is the InChIKey of 2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride?
The InChIKey is SUGUQNXJYNJTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO4S/c14-8-5-6-9(11(17)7-8)13(18)16-10-3-1-2-4-12(10)21(15,19)20/h1-7,17H,(H,16,18).
What are the key properties of 2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride?
2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride has a molecular weight of 329.74 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-hydroxybenzoyl)amino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).