N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide

C18H24N2O3S — CID 10286805

IUPACN-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NC[C@H](O)CCN1CCCC1)c1cccc2ccccc12
InChIInChI=1S/C18H24N2O3S/c21-16(10-13-20-11-3-4-12-20)14-19-24(22,23)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-9,16,19,21H,3-4,10-14H2/t16-/m1/s1
InChIKeyLIWJJHYLJPTBAV-MRXNPFEDSA-N
MW348.47 g/mol
LogP1.96
Rot. Bonds7

About N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide

N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide (PubChem CID 10286805) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide
PubChem CID10286805
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NC[C@H](O)CCN1CCCC1)c1cccc2ccccc12
InChIInChI=1S/C18H24N2O3S/c21-16(10-13-20-11-3-4-12-20)14-19-24(22,23)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-9,16,19,21H,3-4,10-14H2/t16-/m1/s1
InChIKeyLIWJJHYLJPTBAV-MRXNPFEDSA-N
XLogP1.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-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-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 158430386
N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 10287270
N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide
CID 84589990
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide
CID 95367551
N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
CID 115755317
N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide
CID 11362134
N-[(2R)-3-(2-ethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 172709842
N-[4-hydroxy-3,5-bis(piperidin-1-ylmethyl)phenyl]naphthalene-1-sulfonamide;dihydrochloride
CID 10166689
N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide
CID 162364683
N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 142260025
2-methyl-3-(naphthalen-1-ylsulfonylamino)propanethioamide
CID 114795498
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide (CID 10286805) is N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide is O=S(=O)(NC[C@H](O)CCN1CCCC1)c1cccc2ccccc12.
What is the InChIKey of N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide?
The InChIKey is LIWJJHYLJPTBAV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-16(10-13-20-11-3-4-12-20)14-19-24(22,23)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-9,16,19,21H,3-4,10-14H2/t16-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide?
N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10286805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).