5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide

C12H10ClF2N3O2S — CID 83074420

IUPAC5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
SMILESNc1ccc(Nc2c(F)cc(F)cc2Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H10ClF2N3O2S/c13-8-3-6(14)4-9(15)12(8)18-10-2-1-7(16)5-11(10)21(17,19)20/h1-5,18H,16H2,(H2,17,19,20)
InChIKeyMNWZWTIHQRZAKR-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.59
Rot. Bonds3

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

5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide (PubChem CID 83074420) has the molecular formula C12H10ClF2N3O2S and a molecular weight of 333.75 g/mol. Its IUPAC name is 5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
PubChem CID83074420
Molecular FormulaC12H10ClF2N3O2S
Molecular Weight333.75 g/mol
Exact Mass333.02
IUPAC Name5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
SMILESNc1ccc(Nc2c(F)cc(F)cc2Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H10ClF2N3O2S/c13-8-3-6(14)4-9(15)12(8)18-10-2-1-7(16)5-11(10)21(17,19)20/h1-5,18H,16H2,(H2,17,19,20)
InChIKeyMNWZWTIHQRZAKR-UHFFFAOYSA-N
XLogP2.59
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide?
The IUPAC name of 5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide (CID 83074420) is 5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide is Nc1ccc(Nc2c(F)cc(F)cc2Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide?
The InChIKey is MNWZWTIHQRZAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O2S/c13-8-3-6(14)4-9(15)12(8)18-10-2-1-7(16)5-11(10)21(17,19)20/h1-5,18H,16H2,(H2,17,19,20).
What are the key properties of 5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide?
5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide has a molecular weight of 333.75 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-chloro-4,6-difluoroanilino)benzenesulfonamide is sourced from PubChem (CID 83074420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).