2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

C15H17FN2O2S — CID 61126468

IUPAC2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C15H17FN2O2S/c1-10-3-5-12(6-4-10)11(2)18-21(19,20)15-8-7-13(16)9-14(15)17/h3-9,11,18H,17H2,1-2H3
InChIKeyDOVVUNYMOYROCH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.76
Rot. Bonds4

About 2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 61126468) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID61126468
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C15H17FN2O2S/c1-10-3-5-12(6-4-10)11(2)18-21(19,20)15-8-7-13(16)9-14(15)17/h3-9,11,18H,17H2,1-2H3
InChIKeyDOVVUNYMOYROCH-UHFFFAOYSA-N
XLogP2.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.76
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

2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61106700
3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61125345
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 22772322
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61108154
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81349529
N-[1-(3-aminophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 43297963

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (CID 61126468) is 2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2N)cc1.
What is the InChIKey of 2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is DOVVUNYMOYROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-3-5-12(6-4-10)11(2)18-21(19,20)15-8-7-13(16)9-14(15)17/h3-9,11,18H,17H2,1-2H3.
What are the key properties of 2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61126468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).