2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide

C12H11ClFN3O2S — CID 115992346

IUPAC2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide
SMILESNc1c(Nc2cccc(Cl)c2F)cccc1S(N)(=O)=O
InChIInChI=1S/C12H11ClFN3O2S/c13-7-3-1-4-8(11(7)14)17-9-5-2-6-10(12(9)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyWMSMTACUHFWECR-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.45
Rot. Bonds3

About 2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide

2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide (PubChem CID 115992346) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide
PubChem CID115992346
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC Name2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide
SMILESNc1c(Nc2cccc(Cl)c2F)cccc1S(N)(=O)=O
InChIInChI=1S/C12H11ClFN3O2S/c13-7-3-1-4-8(11(7)14)17-9-5-2-6-10(12(9)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyWMSMTACUHFWECR-UHFFFAOYSA-N
XLogP2.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.45
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-3-(2,6-dichloroanilino)benzenesulfonamide
CID 115992809
2-amino-3-(3-chloro-4-fluoroanilino)benzenesulfonamide
CID 115992341
2-amino-3-(2,5-difluoroanilino)benzenesulfonamide
CID 115992299
2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 115992857
2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
CID 115992330
2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide
CID 115992284
3-N-(3-chloro-2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 55147951
2-(5-amino-2-chloroanilino)benzenesulfonamide
CID 54903074
2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide
CID 115992915
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-amino-6-(3-chloro-2-fluoroanilino)-3-fluorobenzoic acid
CID 83214767
4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine
CID 82234948

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide (CID 115992346) is 2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide is Nc1c(Nc2cccc(Cl)c2F)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide?
The InChIKey is WMSMTACUHFWECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c13-7-3-1-4-8(11(7)14)17-9-5-2-6-10(12(9)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19).
What are the key properties of 2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide?
2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide has a molecular weight of 315.76 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide is sourced from PubChem (CID 115992346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).