2-(ethylsulfamoylamino)-4-nitrophenol

C8H11N3O5S — CID 107745997

IUPAC2-(ethylsulfamoylamino)-4-nitrophenol
SMILESCCNS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C8H11N3O5S/c1-2-9-17(15,16)10-7-5-6(11(13)14)3-4-8(7)12/h3-5,9-10,12H,2H2,1H3
InChIKeyBGSGICRFJXWIJV-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.57
Rot. Bonds5

About 2-(ethylsulfamoylamino)-4-nitrophenol

2-(ethylsulfamoylamino)-4-nitrophenol (PubChem CID 107745997) has the molecular formula C8H11N3O5S and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)-4-nitrophenol.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)-4-nitrophenol
PubChem CID107745997
Molecular FormulaC8H11N3O5S
Molecular Weight261.26 g/mol
Exact Mass261.04
IUPAC Name2-(ethylsulfamoylamino)-4-nitrophenol
SMILESCCNS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C8H11N3O5S/c1-2-9-17(15,16)10-7-5-6(11(13)14)3-4-8(7)12/h3-5,9-10,12H,2H2,1H3
InChIKeyBGSGICRFJXWIJV-UHFFFAOYSA-N
XLogP0.57
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
CID 113247071
1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
CID 107745986
1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
CID 107745976
2-(ethylamino)-4-nitrobenzenesulfonic acid
CID 14833051
2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 107744593
1-ethyl-3-(2-hydroxy-5-nitrophenyl)-1-methylurea
CID 107745893
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103717307
N-[(3-nitrophenyl)methylsulfamoyl]ethanamine
CID 59372566
2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 56766376
5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide
CID 107745988
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoylamino)-4-nitrophenol?
The IUPAC name of 2-(ethylsulfamoylamino)-4-nitrophenol (CID 107745997) is 2-(ethylsulfamoylamino)-4-nitrophenol.
What is the SMILES notation for 2-(ethylsulfamoylamino)-4-nitrophenol?
The canonical SMILES for 2-(ethylsulfamoylamino)-4-nitrophenol is CCNS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(ethylsulfamoylamino)-4-nitrophenol?
The InChIKey is BGSGICRFJXWIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S/c1-2-9-17(15,16)10-7-5-6(11(13)14)3-4-8(7)12/h3-5,9-10,12H,2H2,1H3.
What are the key properties of 2-(ethylsulfamoylamino)-4-nitrophenol?
2-(ethylsulfamoylamino)-4-nitrophenol has a molecular weight of 261.26 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoylamino)-4-nitrophenol is sourced from PubChem (CID 107745997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).