4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide

C15H17FN2O2S — CID 64693654

IUPAC4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
SMILESCCc1ccccc1CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-2-11-5-3-4-6-12(11)10-18-15-8-7-13(9-14(15)16)21(17,19)20/h3-9,18H,2,10H2,1H3,(H2,17,19,20)
InChIKeyRHNVAUMAXBSXSN-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.65
Rot. Bonds5

About 4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide

4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide (PubChem CID 64693654) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
PubChem CID64693654
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
SMILESCCc1ccccc1CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-2-11-5-3-4-6-12(11)10-18-15-8-7-13(9-14(15)16)21(17,19)20/h3-9,18H,2,10H2,1H3,(H2,17,19,20)
InChIKeyRHNVAUMAXBSXSN-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide
CID 60733892
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-fluorobenzenesulfonamide
CID 115990498
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
CID 115576985
2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 115992788
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 60964601
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide (CID 64693654) is 4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide is CCc1ccccc1CNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide?
The InChIKey is RHNVAUMAXBSXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-2-11-5-3-4-6-12(11)10-18-15-8-7-13(9-14(15)16)21(17,19)20/h3-9,18H,2,10H2,1H3,(H2,17,19,20).
What are the key properties of 4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide?
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 64693654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).