2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide

C12H10Cl2FN3O2S — CID 83078013

IUPAC2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide
SMILESNc1cc(Nc2c(Cl)cc(F)cc2Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C12H10Cl2FN3O2S/c13-8-3-6(15)4-9(14)12(8)18-7-1-2-11(10(16)5-7)21(17,19)20/h1-5,18H,16H2,(H2,17,19,20)
InChIKeyWXJWSWTTZHRRNB-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.11
Rot. Bonds3

About 2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide

2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide (PubChem CID 83078013) has the molecular formula C12H10Cl2FN3O2S and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide
PubChem CID83078013
Molecular FormulaC12H10Cl2FN3O2S
Molecular Weight350.20 g/mol
Exact Mass348.99
IUPAC Name2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide
SMILESNc1cc(Nc2c(Cl)cc(F)cc2Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C12H10Cl2FN3O2S/c13-8-3-6(15)4-9(14)12(8)18-7-1-2-11(10(16)5-7)21(17,19)20/h1-5,18H,16H2,(H2,17,19,20)
InChIKeyWXJWSWTTZHRRNB-UHFFFAOYSA-N
XLogP3.11
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide
CID 79466509
2-amino-4-(2-cyano-4-fluoroanilino)benzenesulfonamide
CID 82015079
5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83074420
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-amino-4-(thiophen-3-ylamino)benzenesulfonamide
CID 79466458
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
1-[2-amino-5-(2-bromo-6-chloro-4-fluoroanilino)phenyl]ethanone
CID 107609156
2-amino-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 79467392
2-amino-4-(2,5-dibromoanilino)benzenesulfonamide
CID 79467601
2-amino-4-(2-methylanilino)benzenesulfonamide
CID 79466882
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107609120
4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83073033

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide (CID 83078013) is 2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide is Nc1cc(Nc2c(Cl)cc(F)cc2Cl)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide?
The InChIKey is WXJWSWTTZHRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O2S/c13-8-3-6(15)4-9(14)12(8)18-7-1-2-11(10(16)5-7)21(17,19)20/h1-5,18H,16H2,(H2,17,19,20).
What are the key properties of 2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide?
2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide has a molecular weight of 350.20 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide is sourced from PubChem (CID 83078013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).