3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide

C12H8ClF3N2O2S — CID 107363524

IUPAC3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1F
InChIInChI=1S/C12H8ClF3N2O2S/c13-6-3-7(14)5-8(4-6)18-21(19,20)10-2-1-9(15)12(17)11(10)16/h1-5,18H,17H2
InChIKeyQZXIHGCJQPVQSQ-UHFFFAOYSA-N
MW336.72 g/mol
LogP3.14
Rot. Bonds3

About 3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide

3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 107363524) has the molecular formula C12H8ClF3N2O2S and a molecular weight of 336.72 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide
PubChem CID107363524
Molecular FormulaC12H8ClF3N2O2S
Molecular Weight336.72 g/mol
Exact Mass335.99
IUPAC Name3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1F
InChIInChI=1S/C12H8ClF3N2O2S/c13-6-3-7(14)5-8(4-6)18-21(19,20)10-2-1-9(15)12(17)11(10)16/h1-5,18H,17H2
InChIKeyQZXIHGCJQPVQSQ-UHFFFAOYSA-N
XLogP3.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.72
LogP ≤ 53.14
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

3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343056
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
CID 65022984
N-(3-chloro-5-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 107370419
N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 107367287
3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875
4-chloro-N-(3-chloro-5-fluorophenyl)pyridine-3-sulfonamide
CID 104952426
5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629045
5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272013
4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide (CID 107363524) is 3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide is Nc1c(F)ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1F.
What is the InChIKey of 3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is QZXIHGCJQPVQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2S/c13-6-3-7(14)5-8(4-6)18-21(19,20)10-2-1-9(15)12(17)11(10)16/h1-5,18H,17H2.
What are the key properties of 3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide?
3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 336.72 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 107363524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).