4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide

C15H17FN2O2S — CID 79044635

IUPAC4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2ccc(C(C)N)cc2)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-7-13(16)9-14(8-10)18-21(19,20)15-5-3-12(4-6-15)11(2)17/h3-9,11,18H,17H2,1-2H3
InChIKeyWYAYVZNGALJMOP-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.95
Rot. Bonds4

About 4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide

4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide (PubChem CID 79044635) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
PubChem CID79044635
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2ccc(C(C)N)cc2)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-7-13(16)9-14(8-10)18-21(19,20)15-5-3-12(4-6-15)11(2)17/h3-9,11,18H,17H2,1-2H3
InChIKeyWYAYVZNGALJMOP-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminoethyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43111564
4-[(3-fluoro-5-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 79044434
4-[(3-fluoro-5-methylphenyl)sulfamoyl]benzoic acid
CID 79041528
N-[4-[(3-fluoro-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 97030412
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43105533
4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107613406
3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 106070501
4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588980
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
[3-fluoro-5-[(4-methylphenyl)sulfonylamino]phenyl]boronic acid
CID 169371654
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401893

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide (CID 79044635) is 4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide is Cc1cc(F)cc(NS(=O)(=O)c2ccc(C(C)N)cc2)c1.
What is the InChIKey of 4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide?
The InChIKey is WYAYVZNGALJMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-7-13(16)9-14(8-10)18-21(19,20)15-5-3-12(4-6-15)11(2)17/h3-9,11,18H,17H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide?
4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 79044635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).