3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide

C10H12Cl2F2N2O3S — CID 107477979

IUPAC3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1c(Cl)ccc(S(=O)(=O)N(CCO)CC(F)F)c1Cl
InChIInChI=1S/C10H12Cl2F2N2O3S/c11-6-1-2-7(9(12)10(6)15)20(18,19)16(3-4-17)5-8(13)14/h1-2,8,17H,3-5,15H2
InChIKeyZHPRZIPIQQMPPS-UHFFFAOYSA-N
MW349.19 g/mol
LogP1.82
Rot. Bonds6

About 3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide

3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 107477979) has the molecular formula C10H12Cl2F2N2O3S and a molecular weight of 349.19 g/mol. Its IUPAC name is 3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID107477979
Molecular FormulaC10H12Cl2F2N2O3S
Molecular Weight349.19 g/mol
Exact Mass347.99
IUPAC Name3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1c(Cl)ccc(S(=O)(=O)N(CCO)CC(F)F)c1Cl
InChIInChI=1S/C10H12Cl2F2N2O3S/c11-6-1-2-7(9(12)10(6)15)20(18,19)16(3-4-17)5-8(13)14/h1-2,8,17H,3-5,15H2
InChIKeyZHPRZIPIQQMPPS-UHFFFAOYSA-N
XLogP1.82
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide 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

4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
2,3,4-trichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876379
3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 107478040
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide
CID 107483495
4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477991
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 107485920
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide
CID 107485944
N-(2,2-difluoroethyl)-2-fluoro-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
CID 107483565
3-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 107479033
3-amino-4-bromo-5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 103077363

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide (CID 107477979) is 3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide is Nc1c(Cl)ccc(S(=O)(=O)N(CCO)CC(F)F)c1Cl.
What is the InChIKey of 3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is ZHPRZIPIQQMPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2F2N2O3S/c11-6-1-2-7(9(12)10(6)15)20(18,19)16(3-4-17)5-8(13)14/h1-2,8,17H,3-5,15H2.
What are the key properties of 3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 349.19 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 107477979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).