2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride

C14H12FNO4S — CID 116813960

IUPAC2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride
SMILESCc1ccc(C(=O)Nc2ccccc2S(=O)(=O)F)c(O)c1
InChIInChI=1S/C14H12FNO4S/c1-9-6-7-10(12(17)8-9)14(18)16-11-4-2-3-5-13(11)21(15,19)20/h2-8,17H,1H3,(H,16,18)
InChIKeyRMUOHQHWKWFXQM-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.61
Rot. Bonds3

About 2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride

2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride (PubChem CID 116813960) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride
PubChem CID116813960
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride
SMILESCc1ccc(C(=O)Nc2ccccc2S(=O)(=O)F)c(O)c1
InChIInChI=1S/C14H12FNO4S/c1-9-6-7-10(12(17)8-9)14(18)16-11-4-2-3-5-13(11)21(15,19)20/h2-8,17H,1H3,(H,16,18)
InChIKeyRMUOHQHWKWFXQM-UHFFFAOYSA-N
XLogP2.61
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881646
2-[(5-fluoro-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814212
2-[(5-bromo-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814013
2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116813961
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814035
2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814224
2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814244
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 63116147
N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-4-methylbenzamide
CID 62097745
methyl 4-chloro-2-[2-[(4-chloro-2-hydroxybenzoyl)amino]phenyl]sulfonyloxybenzoate
CID 59759944

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride (CID 116813960) is 2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride is Cc1ccc(C(=O)Nc2ccccc2S(=O)(=O)F)c(O)c1.
What is the InChIKey of 2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride?
The InChIKey is RMUOHQHWKWFXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-9-6-7-10(12(17)8-9)14(18)16-11-4-2-3-5-13(11)21(15,19)20/h2-8,17H,1H3,(H,16,18).
What are the key properties of 2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride?
2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride has a molecular weight of 309.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride is sourced from PubChem (CID 116813960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).