3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide

C13H13FN2O2S — CID 16790210

IUPAC3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-7-10(14)5-6-13(9)16-19(17,18)12-4-2-3-11(15)8-12/h2-8,16H,15H2,1H3
InChIKeyJNIVWOGDMMOSAI-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.52
Rot. Bonds3

About 3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide

3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 16790210) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID16790210
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-7-10(14)5-6-13(9)16-19(17,18)12-4-2-3-11(15)8-12/h2-8,16H,15H2,1H3
InChIKeyJNIVWOGDMMOSAI-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.52
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

3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186982
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79768613
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590908
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 55044474
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide (CID 16790210) is 3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is JNIVWOGDMMOSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-7-10(14)5-6-13(9)16-19(17,18)12-4-2-3-11(15)8-12/h2-8,16H,15H2,1H3.
What are the key properties of 3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 16790210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).