3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide

C15H17FN2O2S — CID 61107588

IUPAC3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC(C)c2ccccc2F)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-7-12(17)9-13(8-10)21(19,20)18-11(2)14-5-3-4-6-15(14)16/h3-9,11,18H,17H2,1-2H3
InChIKeyDSAMBXPQONYTLH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.76
Rot. Bonds4

About 3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide

3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide (PubChem CID 61107588) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide
PubChem CID61107588
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC(C)c2ccccc2F)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-7-12(17)9-13(8-10)21(19,20)18-11(2)14-5-3-4-6-15(14)16/h3-9,11,18H,17H2,1-2H3
InChIKeyDSAMBXPQONYTLH-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

3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61106187
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
CID 62156754
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213
N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide
CID 43298057
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54934224
6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide
CID 107862011

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide (CID 61107588) is 3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC(C)c2ccccc2F)c1.
What is the InChIKey of 3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide?
The InChIKey is DSAMBXPQONYTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-7-12(17)9-13(8-10)21(19,20)18-11(2)14-5-3-4-6-15(14)16/h3-9,11,18H,17H2,1-2H3.
What are the key properties of 3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide?
3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide 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 3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 61107588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).