N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide

C21H21NO3S — CID 90535526

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO3S/c23-21(19-11-12-19,18-8-2-1-3-9-18)15-22-26(24,25)20-13-10-16-6-4-5-7-17(16)14-20/h1-10,13-14,19,22-23H,11-12,15H2
InChIKeyBHTOWWQVIAXQJK-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.42
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide (PubChem CID 90535526) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide
PubChem CID90535526
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO3S/c23-21(19-11-12-19,18-8-2-1-3-9-18)15-22-26(24,25)20-13-10-16-6-4-5-7-17(16)14-20/h1-10,13-14,19,22-23H,11-12,15H2
InChIKeyBHTOWWQVIAXQJK-UHFFFAOYSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-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-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methylbenzenesulfonamide
CID 71788797
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-methylbenzenesulfonamide
CID 95379479
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 95379516
4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 71788808
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 90535542
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide
CID 90535535
2-bromo-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 95379538
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
CID 71788798
N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
CID 65112958
2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 90535544
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 71788810
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide (CID 90535526) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide is O=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide?
The InChIKey is BHTOWWQVIAXQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c23-21(19-11-12-19,18-8-2-1-3-9-18)15-22-26(24,25)20-13-10-16-6-4-5-7-17(16)14-20/h1-10,13-14,19,22-23H,11-12,15H2.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 90535526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).