2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide

C12H8Cl3FN2O2S — CID 43256648

IUPAC2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8Cl3FN2O2S/c13-6-3-9(15)12(11(17)4-6)21(19,20)18-7-1-2-10(16)8(14)5-7/h1-5,18H,17H2
InChIKeyQHWKNFMTOKCTGX-UHFFFAOYSA-N
MW369.63 g/mol
LogP4.17
Rot. Bonds3

About 2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide

2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide (PubChem CID 43256648) has the molecular formula C12H8Cl3FN2O2S and a molecular weight of 369.63 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
PubChem CID43256648
Molecular FormulaC12H8Cl3FN2O2S
Molecular Weight369.63 g/mol
Exact Mass367.94
IUPAC Name2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8Cl3FN2O2S/c13-6-3-9(15)12(11(17)4-6)21(19,20)18-7-1-2-10(16)8(14)5-7/h1-5,18H,17H2
InChIKeyQHWKNFMTOKCTGX-UHFFFAOYSA-N
XLogP4.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
LogP ≤ 54.17
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

5-Amino-2-chloro-N-(3-chloro-phenyl)-benzenesulfonamide
CID 3724108
N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 341408
4-Amino-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 221212
4-amino-N-(3-chlorophenyl)benzene-1-sulfonamide
CID 2357660
2-Amino-4-chlorobenzenesulphonamide
CID 77790
N-(4-aminophenyl)-4-chlorobenzenesulfonamide
CID 4651464
N-(3-Chlorophenyl)benzenesulfonamide
CID 555626
3',4-Dichlorobenzenesulfonanilide
CID 306214
4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 710439
2',4,5'-Trichlorobenzenesulfonanilide
CID 310132
4-Chloro-6-pentafluorobenzenesulfonylamino-benzene-1,3-disulfonic acid diamide
CID 10673405
3,5-dichloro-N-phenylbenzenesulfonamide
CID 8190067

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide (CID 43256648) is 2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The InChIKey is QHWKNFMTOKCTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3FN2O2S/c13-6-3-9(15)12(11(17)4-6)21(19,20)18-7-1-2-10(16)8(14)5-7/h1-5,18H,17H2.
What are the key properties of 2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide has a molecular weight of 369.63 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 43256648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).