N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide

C10H13FN2O5S — CID 54878677

IUPACN-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H13FN2O5S/c1-2-12(5-6-14)19(17,18)10-7-8(13(15)16)3-4-9(10)11/h3-4,7,14H,2,5-6H2,1H3
InChIKeyDKVBOZFBLYNJPH-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.74
Rot. Bonds6

About N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide

N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide (PubChem CID 54878677) has the molecular formula C10H13FN2O5S and a molecular weight of 292.29 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide
PubChem CID54878677
Molecular FormulaC10H13FN2O5S
Molecular Weight292.29 g/mol
Exact Mass292.05
IUPAC NameN-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H13FN2O5S/c1-2-12(5-6-14)19(17,18)10-7-8(13(15)16)3-4-9(10)11/h3-4,7,14H,2,5-6H2,1H3
InChIKeyDKVBOZFBLYNJPH-UHFFFAOYSA-N
XLogP0.74
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[ethyl-(2-fluoro-5-nitrophenyl)sulfonylamino]acetic acid
CID 61012923
2-[(2-fluoro-5-nitrophenyl)sulfonyl-propylamino]acetic acid
CID 61008941
2-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-5-nitrobenzenesulfonamide
CID 104553539
N-(2,2-difluoroethyl)-2-fluoro-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
CID 107483565
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzenesulfonamide
CID 61045394
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide
CID 62147107
3-[ethyl-(2-methyl-5-nitrophenyl)sulfonylamino]propanoic acid
CID 61007016
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide
CID 115755454
2-fluoro-5-nitrobenzenesulfonic acid;hydrochloride
CID 174777146
N,N-diethyl-5-nitro-2-(propylamino)benzenesulfonamide
CID 60634187

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide?
The IUPAC name of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide (CID 54878677) is N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide is CCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide?
The InChIKey is DKVBOZFBLYNJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5S/c1-2-12(5-6-14)19(17,18)10-7-8(13(15)16)3-4-9(10)11/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide?
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide has a molecular weight of 292.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 54878677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).