propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate

C17H18FNO4S — CID 16619625

IUPACpropan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OC(C)C
InChIInChI=1S/C17H18FNO4S/c1-11(2)23-17(20)14-6-4-5-7-15(14)19-24(21,22)16-9-8-13(18)10-12(16)3/h4-11,19H,1-3H3
InChIKeyGDPWYKBHTLTCCT-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.50
Rot. Bonds5

About propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate

propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate (PubChem CID 16619625) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
PubChem CID16619625
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Namepropan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OC(C)C
InChIInChI=1S/C17H18FNO4S/c1-11(2)23-17(20)14-6-4-5-7-15(14)19-24(21,22)16-9-8-13(18)10-12(16)3/h4-11,19H,1-3H3
InChIKeyGDPWYKBHTLTCCT-UHFFFAOYSA-N
XLogP3.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55316027
[1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 18198922
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 9068321
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 8762838
2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569504
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55390190
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
CID 120829039
N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
CID 2334103
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569608
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569341
N-(3-amino-2-methylpropyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119998287
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 2360003

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate (CID 16619625) is propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate is Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The InChIKey is GDPWYKBHTLTCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-11(2)23-17(20)14-6-4-5-7-15(14)19-24(21,22)16-9-8-13(18)10-12(16)3/h4-11,19H,1-3H3.
What are the key properties of propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate has a molecular weight of 351.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16619625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).