2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid

C8H6N2O6S — CID 174864899

IUPAC2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid
SMILESO=C(O)C(N=S(=O)=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H6N2O6S/c11-8(12)7(9-17(15)16)5-3-1-2-4-6(5)10(13)14/h1-4,7H,(H,11,12)
InChIKeyNMMIBAFVORMGAR-UHFFFAOYSA-N
MW258.21 g/mol
LogP0.78
Rot. Bonds4

About 2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid

2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid (PubChem CID 174864899) has the molecular formula C8H6N2O6S and a molecular weight of 258.21 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid
PubChem CID174864899
Molecular FormulaC8H6N2O6S
Molecular Weight258.21 g/mol
Exact Mass257.99
IUPAC Name2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid
SMILESO=C(O)C(N=S(=O)=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H6N2O6S/c11-8(12)7(9-17(15)16)5-3-1-2-4-6(5)10(13)14/h1-4,7H,(H,11,12)
InChIKeyNMMIBAFVORMGAR-UHFFFAOYSA-N
XLogP0.78
TPSA126.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 50.78
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

2-(2-nitrophenyl)propanedioic acid
CID 18413218
(2S)-2-bromo-2-(2-nitrophenyl)acetic acid
CID 97170538
3-amino-2-(2-nitrophenyl)butanoic acid
CID 67114561
(2S)-2-(2-nitrophenyl)butanoic acid
CID 93333341
2-(dimethylamino)-2-(2-nitrophenyl)acetic acid
CID 84749158
1,3-dibromo-1,3-bis(2-nitrophenyl)propan-2-one
CID 101219469
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
2-(2-nitrophenyl)propanethioic S-acid
CID 21317382
(1S,2S)-1-amino-1-(2-nitrophenyl)propan-2-ol
CID 55270082
1-nitro-2-[nitroso(phenyl)methyl]benzene
CID 57068821
methyl (2S)-2-amino-2-(2-nitrophenyl)acetate;hydrochloride
CID 171198321
methyl 2-amino-2-(2-nitrophenyl)acetate;hydrochloride
CID 86767617

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid?
The IUPAC name of 2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid (CID 174864899) is 2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid.
What is the SMILES notation for 2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid?
The canonical SMILES for 2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid is O=C(O)C(N=S(=O)=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid?
The InChIKey is NMMIBAFVORMGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O6S/c11-8(12)7(9-17(15)16)5-3-1-2-4-6(5)10(13)14/h1-4,7H,(H,11,12).
What are the key properties of 2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid?
2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid has a molecular weight of 258.21 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid is sourced from PubChem (CID 174864899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).