N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide

C18H20N2O2S — CID 110357490

IUPACN-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2O2S/c21-23(22,12-6-9-15-7-2-1-3-8-15)20-14-16-13-19-18-11-5-4-10-17(16)18/h1-5,7-8,10-11,13,19-20H,6,9,12,14H2
InChIKeyYKRPJRBZJSKAJT-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.22
Rot. Bonds7

About N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide

N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide (PubChem CID 110357490) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide
PubChem CID110357490
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2O2S/c21-23(22,12-6-9-15-7-2-1-3-8-15)20-14-16-13-19-18-11-5-4-10-17(16)18/h1-5,7-8,10-11,13,19-20H,6,9,12,14H2
InChIKeyYKRPJRBZJSKAJT-UHFFFAOYSA-N
XLogP3.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide 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

N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324343
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113084771
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
1H-indol-3-ylmethylcyanamide
CID 145401688
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324721
3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 110779514
N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
CID 47029588
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113085407
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-[[3-(1H-indol-3-ylmethyl)phenyl]methyl]-4-pentylbenzenesulfonamide
CID 58615642
N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110786300

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide (CID 110357490) is N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide?
The InChIKey is YKRPJRBZJSKAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-23(22,12-6-9-15-7-2-1-3-8-15)20-14-16-13-19-18-11-5-4-10-17(16)18/h1-5,7-8,10-11,13,19-20H,6,9,12,14H2.
What are the key properties of N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide?
N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110357490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).