5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide

C14H14ClFN2O2S — CID 61112458

IUPAC5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-2-9-5-3-4-6-13(9)18-21(19,20)14-8-12(17)11(16)7-10(14)15/h3-8,18H,2,17H2,1H3
InChIKeyLYXNPSSCFYVLQI-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.42
Rot. Bonds4

About 5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide

5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 61112458) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
PubChem CID61112458
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-2-9-5-3-4-6-13(9)18-21(19,20)14-8-12(17)11(16)7-10(14)15/h3-8,18H,2,17H2,1H3
InChIKeyLYXNPSSCFYVLQI-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.42
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

5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
CID 82744624
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
5-amino-2-chloro-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83166065
5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
CID 103988511
5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 61112072
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400700
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide (CID 61112458) is 5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is LYXNPSSCFYVLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-2-9-5-3-4-6-13(9)18-21(19,20)14-8-12(17)11(16)7-10(14)15/h3-8,18H,2,17H2,1H3.
What are the key properties of 5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide?
5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61112458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).