N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide

C16H22N2O3S — CID 86266756

IUPACN-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide
SMILESCn1cccc1C(O)CCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H22N2O3S/c1-18-12-5-8-15(18)16(19)9-11-17-22(20,21)13-10-14-6-3-2-4-7-14/h2-8,12,16-17,19H,9-11,13H2,1H3
InChIKeyHRDLDTGCHMJBKH-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.61
Rot. Bonds8

About N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide

N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide (PubChem CID 86266756) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide
PubChem CID86266756
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide
SMILESCn1cccc1C(O)CCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H22N2O3S/c1-18-12-5-8-15(18)16(19)9-11-17-22(20,21)13-10-14-6-3-2-4-7-14/h2-8,12,16-17,19H,9-11,13H2,1H3
InChIKeyHRDLDTGCHMJBKH-UHFFFAOYSA-N
XLogP1.61
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide 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-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
CID 90523818
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
N-(3-bromopentyl)-2-phenylethanesulfonamide
CID 113498008
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide
CID 14152355
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720
N-[3-(2-phenylethylsulfonylamino)propyl]acetamide
CID 110292134
N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113058668
1-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 95982613
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide (CID 86266756) is N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide is Cn1cccc1C(O)CCNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide?
The InChIKey is HRDLDTGCHMJBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-18-12-5-8-15(18)16(19)9-11-17-22(20,21)13-10-14-6-3-2-4-7-14/h2-8,12,16-17,19H,9-11,13H2,1H3.
What are the key properties of N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide?
N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 86266756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).