[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate

C17H16ClFN2O5S — CID 8582599

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate
SMILESC[C@@H](OC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1)C(N)=O
InChIInChI=1S/C17H16ClFN2O5S/c1-10(17(20)23)26-16(22)8-11-2-5-13(6-3-11)21-27(24,25)15-7-4-12(18)9-14(15)19/h2-7,9-10,21H,8H2,1H3,(H2,20,23)/t10-/m1/s1
InChIKeyFYVOWKPNQOIIAA-SNVBAGLBSA-N
MW414.84 g/mol
LogP2.24
Rot. Bonds7

About [(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate

[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate (PubChem CID 8582599) has the molecular formula C17H16ClFN2O5S and a molecular weight of 414.84 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate
PubChem CID8582599
Molecular FormulaC17H16ClFN2O5S
Molecular Weight414.84 g/mol
Exact Mass414.05
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate
SMILESC[C@@H](OC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1)C(N)=O
InChIInChI=1S/C17H16ClFN2O5S/c1-10(17(20)23)26-16(22)8-11-2-5-13(6-3-11)21-27(24,25)15-7-4-12(18)9-14(15)19/h2-7,9-10,21H,8H2,1H3,(H2,20,23)/t10-/m1/s1
InChIKeyFYVOWKPNQOIIAA-SNVBAGLBSA-N
XLogP2.24
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.84
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate with MolForge

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750311
N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 24663149
[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea
CID 36510536
propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate
CID 47121966
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 7825794
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750151
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590359
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590380

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate (CID 8582599) is [(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate is C[C@@H](OC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate?
The InChIKey is FYVOWKPNQOIIAA-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16ClFN2O5S/c1-10(17(20)23)26-16(22)8-11-2-5-13(6-3-11)21-27(24,25)15-7-4-12(18)9-14(15)19/h2-7,9-10,21H,8H2,1H3,(H2,20,23)/t10-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate has a molecular weight of 414.84 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate is sourced from PubChem (CID 8582599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).