2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide

C12H9ClF2N2O2S — CID 43438207

IUPAC2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H9ClF2N2O2S/c13-7-1-3-9(15)11(5-7)17-20(18,19)12-4-2-8(14)6-10(12)16/h1-6,17H,16H2
InChIKeyIMOFGYNMUZUTQP-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.00
Rot. Bonds3

About 2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide

2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 43438207) has the molecular formula C12H9ClF2N2O2S and a molecular weight of 318.73 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
PubChem CID43438207
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC Name2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H9ClF2N2O2S/c13-7-1-3-9(15)11(5-7)17-20(18,19)12-4-2-8(14)6-10(12)16/h1-6,17H,16H2
InChIKeyIMOFGYNMUZUTQP-UHFFFAOYSA-N
XLogP3.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809639
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
3-amino-5-bromo-N-(5-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 114378862
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide (CID 43438207) is 2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is IMOFGYNMUZUTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c13-7-1-3-9(15)11(5-7)17-20(18,19)12-4-2-8(14)6-10(12)16/h1-6,17H,16H2.
What are the key properties of 2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide?
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 318.73 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43438207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).