5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide

C10H13F2N3O5S — CID 107485920

IUPAC5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C10H13F2N3O5S/c11-10(12)6-14(3-4-16)21(19,20)9-5-7(13)1-2-8(9)15(17)18/h1-2,5,10,16H,3-4,6,13H2
InChIKeyRDPDJSBWNCKOSB-UHFFFAOYSA-N
MW325.29 g/mol
LogP0.43
Rot. Bonds7

About 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide

5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide (PubChem CID 107485920) has the molecular formula C10H13F2N3O5S and a molecular weight of 325.29 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
PubChem CID107485920
Molecular FormulaC10H13F2N3O5S
Molecular Weight325.29 g/mol
Exact Mass325.05
IUPAC Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C10H13F2N3O5S/c11-10(12)6-14(3-4-16)21(19,20)9-5-7(13)1-2-8(9)15(17)18/h1-2,5,10,16H,3-4,6,13H2
InChIKeyRDPDJSBWNCKOSB-UHFFFAOYSA-N
XLogP0.43
TPSA126.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-difluoroethyl)-2-fluoro-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
CID 107483565
4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
N-(2,2-difluoroethyl)-4-hydroxy-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 107481597
5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61140970
5-amino-N-(2-cyanoethyl)-N-ethyl-2-nitrobenzenesulfonamide
CID 62157569
5-amino-N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62145688
4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477991
5-amino-N-(cyclopropylmethyl)-2-nitro-N-propylbenzenesulfonamide
CID 62159096
3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 107478040
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477979
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide (CID 107485920) is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide is Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCO)CC(F)F)c1.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
The InChIKey is RDPDJSBWNCKOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O5S/c11-10(12)6-14(3-4-16)21(19,20)9-5-7(13)1-2-8(9)15(17)18/h1-2,5,10,16H,3-4,6,13H2.
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide has a molecular weight of 325.29 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 107485920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).