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

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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).