N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide

C17H22N2O2S — CID 95624419

IUPACN-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide
SMILESCC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-3-17(15-9-5-4-6-10-15)19-13-14-8-7-11-16(12-14)22(20,21)18-2/h4-12,17-19H,3,13H2,1-2H3/t17-/m0/s1
InChIKeyUWGORMMTEDMKTP-KRWDZBQOSA-N
MW318.44 g/mol
LogP2.84
Rot. Bonds7

About N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide

N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide (PubChem CID 95624419) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide
PubChem CID95624419
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide
SMILESCC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-3-17(15-9-5-4-6-10-15)19-13-14-8-7-11-16(12-14)22(20,21)18-2/h4-12,17-19H,3,13H2,1-2H3/t17-/m0/s1
InChIKeyUWGORMMTEDMKTP-KRWDZBQOSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]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

3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide
CID 99852096
3-[[[hydroxy(phenyl)methyl]-methylamino]methyl]-N-methylbenzenesulfonamide
CID 134482302
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43080790
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide
CID 97230696
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
N-[4-[[[(1S)-1-phenylpropyl]amino]methyl]phenyl]ethanesulfonamide
CID 97212917
3-hexan-3-yl-N-methylbenzenesulfonamide
CID 139318427
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848728
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106029965
3-[[(3-ethoxyphenyl)methylamino]methyl]-N-methylbenzenesulfonamide
CID 56824122

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide (CID 95624419) is N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide is CC[C@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccccc1.
What is the InChIKey of N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide?
The InChIKey is UWGORMMTEDMKTP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-17(15-9-5-4-6-10-15)19-13-14-8-7-11-16(12-14)22(20,21)18-2/h4-12,17-19H,3,13H2,1-2H3/t17-/m0/s1.
What are the key properties of N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide?
N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 95624419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).