N-(2-amino-4-fluorophenyl)benzenesulfonamide

C12H11FN2O2S — CID 16778352

IUPACN-(2-amino-4-fluorophenyl)benzenesulfonamide
SMILESNc1cc(F)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11FN2O2S/c13-9-6-7-12(11(14)8-9)15-18(16,17)10-4-2-1-3-5-10/h1-8,15H,14H2
InChIKeyBTPBOKUNLDFVQS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.21
Rot. Bonds3

About N-(2-amino-4-fluorophenyl)benzenesulfonamide

N-(2-amino-4-fluorophenyl)benzenesulfonamide (PubChem CID 16778352) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)benzenesulfonamide
PubChem CID16778352
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC NameN-(2-amino-4-fluorophenyl)benzenesulfonamide
SMILESNc1cc(F)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11FN2O2S/c13-9-6-7-12(11(14)8-9)15-18(16,17)10-4-2-1-3-5-10/h1-8,15H,14H2
InChIKeyBTPBOKUNLDFVQS-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.21
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

N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide
CID 29008434
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 28522075
N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16771222
N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 62061544
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
N-(2-amino-4-ethoxyphenyl)benzenesulfonamide
CID 91687393
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 43550629

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)benzenesulfonamide (CID 16778352) is N-(2-amino-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)benzenesulfonamide is Nc1cc(F)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)benzenesulfonamide?
The InChIKey is BTPBOKUNLDFVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-6-7-12(11(14)8-9)15-18(16,17)10-4-2-1-3-5-10/h1-8,15H,14H2.
What are the key properties of N-(2-amino-4-fluorophenyl)benzenesulfonamide?
N-(2-amino-4-fluorophenyl)benzenesulfonamide has a molecular weight of 266.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 16778352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).