4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide

C19H25FN2O2S — CID 99796852

IUPAC4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2S/c1-14(2)19(16-7-9-17(20)10-8-16)21-25(23,24)18-11-5-15(6-12-18)13-22(3)4/h5-12,14,19,21H,13H2,1-4H3/t19-/m0/s1
InChIKeyBUJFHMIPUDWUEY-IBGZPJMESA-N
MW364.49 g/mol
LogP3.56
Rot. Bonds7

About 4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide

4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide (PubChem CID 99796852) has the molecular formula C19H25FN2O2S and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
PubChem CID99796852
Molecular FormulaC19H25FN2O2S
Molecular Weight364.49 g/mol
Exact Mass364.16
IUPAC Name4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2S/c1-14(2)19(16-7-9-17(20)10-8-16)21-25(23,24)18-11-5-15(6-12-18)13-22(3)4/h5-12,14,19,21H,13H2,1-4H3/t19-/m0/s1
InChIKeyBUJFHMIPUDWUEY-IBGZPJMESA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 26544292
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide
CID 47121983
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 91650299
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 18286971
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 164861902

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide (CID 99796852) is 4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide is CC(C)[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
The InChIKey is BUJFHMIPUDWUEY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25FN2O2S/c1-14(2)19(16-7-9-17(20)10-8-16)21-25(23,24)18-11-5-15(6-12-18)13-22(3)4/h5-12,14,19,21H,13H2,1-4H3/t19-/m0/s1.
What are the key properties of 4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide has a molecular weight of 364.49 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 99796852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).