4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide

C17H21FN2O2S — CID 124885486

IUPAC4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide
SMILESCc1ccc(F)cc1CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H21FN2O2S/c1-12-4-7-16(18)10-15(12)11-20(3)13(2)14-5-8-17(9-6-14)23(19,21)22/h4-10,13H,11H2,1-3H3,(H2,19,21,22)/t13-/m0/s1
InChIKeySNWILUZRBZAYBL-ZDUSSCGKSA-N
MW336.43 g/mol
LogP2.97
Rot. Bonds5

About 4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide

4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide (PubChem CID 124885486) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide
PubChem CID124885486
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide
SMILESCc1ccc(F)cc1CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H21FN2O2S/c1-12-4-7-16(18)10-15(12)11-20(3)13(2)14-5-8-17(9-6-14)23(19,21)22/h4-10,13H,11H2,1-3H3,(H2,19,21,22)/t13-/m0/s1
InChIKeySNWILUZRBZAYBL-ZDUSSCGKSA-N
XLogP2.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[(2-bromo-4-fluorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 16594985
4-[1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615125
5-methyl-4-[[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 138003654
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
4-[1-[(2-cyanophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615077
4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 35886708
4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615150
2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635547
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide
CID 42929119
N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 63458512
4-[(1R)-1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 94343786

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide (CID 124885486) is 4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide is Cc1ccc(F)cc1CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide?
The InChIKey is SNWILUZRBZAYBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-12-4-7-16(18)10-15(12)11-20(3)13(2)14-5-8-17(9-6-14)23(19,21)22/h4-10,13H,11H2,1-3H3,(H2,19,21,22)/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide?
4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide has a molecular weight of 336.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 124885486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).