(4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate

C15H13FN2O6S — CID 7983015

IUPAC(4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1F)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13FN2O6S/c16-13-3-1-2-4-14(13)25(22,23)17-9-15(19)24-10-11-5-7-12(8-6-11)18(20)21/h1-8,17H,9-10H2
InChIKeySRYCUIPODQIFKO-UHFFFAOYSA-N
MW368.34 g/mol
LogP1.76
Rot. Bonds7

About (4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate

(4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate (PubChem CID 7983015) has the molecular formula C15H13FN2O6S and a molecular weight of 368.34 g/mol. Its IUPAC name is (4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate
PubChem CID7983015
Molecular FormulaC15H13FN2O6S
Molecular Weight368.34 g/mol
Exact Mass368.05
IUPAC Name(4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1F)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13FN2O6S/c16-13-3-1-2-4-14(13)25(22,23)17-9-15(19)24-10-11-5-7-12(8-6-11)18(20)21/h1-8,17H,9-10H2
InChIKeySRYCUIPODQIFKO-UHFFFAOYSA-N
XLogP1.76
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitrobenzyl N-(phenylsulfonyl)glycinate
CID 1310371
(4-Nitrophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 9167143
(S)-4-nitrobenzyl 2-aminopropanoate benzenesulfonate
CID 16682450
(4-Nitrophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 25354318
2-Chloro-6-fluorobenzyl 2-{[(4-nitrophenyl)sulfonyl]amino}acetate
CID 2204109
p-Nitrobenzyl glycinate
CID 12800846
benzyl N-(4-nitrophenyl)sulfonylcarbamate
CID 134875459
3-Nitro-N-{4-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}benzenesulfonamide
CID 2974389
(4-Nitrophenyl)methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 70380005
N-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]-2-nitrobenzenesulfonamide
CID 171828772
(4-Nitrophenyl)methyl 2-{[(4-chlorophenyl)sulfonyl]amino}acetate
CID 1101189
(4-Nitrophenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 5101600

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of (4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate (CID 7983015) is (4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for (4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for (4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1ccccc1F)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate?
The InChIKey is SRYCUIPODQIFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O6S/c16-13-3-1-2-4-14(13)25(22,23)17-9-15(19)24-10-11-5-7-12(8-6-11)18(20)21/h1-8,17H,9-10H2.
What are the key properties of (4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate?
(4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate has a molecular weight of 368.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methyl 2-[(2-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7983015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).