2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide

C12H8Cl2F2N2O2S — CID 83072869

IUPAC2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-6-1-2-10(17)11(3-6)21(19,20)18-12-8(14)4-7(15)5-9(12)16/h1-5,18H,17H2
InChIKeyJYIKKUVNQMHVPF-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.65
Rot. Bonds3

About 2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide

2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide (PubChem CID 83072869) has the molecular formula C12H8Cl2F2N2O2S and a molecular weight of 353.18 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide
PubChem CID83072869
Molecular FormulaC12H8Cl2F2N2O2S
Molecular Weight353.18 g/mol
Exact Mass351.97
IUPAC Name2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-6-1-2-10(17)11(3-6)21(19,20)18-12-8(14)4-7(15)5-9(12)16/h1-5,18H,17H2
InChIKeyJYIKKUVNQMHVPF-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.65
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

2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide
CID 65469250
4-amino-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 83087907
2-amino-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107571310
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083
2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide
CID 82888797
N-(2-chloro-4,6-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 83088230
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
6-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 83074226
2-amino-5-chloro-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65491458
3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 83073347

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide (CID 83072869) is 2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide is Nc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide?
The InChIKey is JYIKKUVNQMHVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2O2S/c13-6-1-2-10(17)11(3-6)21(19,20)18-12-8(14)4-7(15)5-9(12)16/h1-5,18H,17H2.
What are the key properties of 2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide?
2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide has a molecular weight of 353.18 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 83072869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).