N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide

C17H22N2O2S — CID 112982187

IUPACN-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-3-12-22(20,21)19-17-10-8-16(9-11-17)18-13-15-6-4-14(2)5-7-15/h4-11,18-19H,3,12-13H2,1-2H3
InChIKeyGUEUIRWUESAUBT-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.76
Rot. Bonds7

About N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide

N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide (PubChem CID 112982187) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
PubChem CID112982187
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-3-12-22(20,21)19-17-10-8-16(9-11-17)18-13-15-6-4-14(2)5-7-15/h4-11,18-19H,3,12-13H2,1-2H3
InChIKeyGUEUIRWUESAUBT-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-4-propylsulfonylaniline
CID 43453453
N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide
CID 112983175
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
CID 60932275
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
N-[(4-iodophenyl)methyl]-4-methylaniline
CID 60674684
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N-[4-[(dimethylamino)methyl]phenyl]propane-1-sulfonamide
CID 64585715
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide (CID 112982187) is N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(NCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide?
The InChIKey is GUEUIRWUESAUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-12-22(20,21)19-17-10-8-16(9-11-17)18-13-15-6-4-14(2)5-7-15/h4-11,18-19H,3,12-13H2,1-2H3.
What are the key properties of N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide?
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112982187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).