N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid

C19H23F3N2O5S — CID 158430386

IUPACN-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NC[C@H](O)CN1CCCC1)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O3S.C2HF3O2/c20-15(13-19-10-3-4-11-19)12-18-23(21,22)17-9-5-7-14-6-1-2-8-16(14)17;3-2(4,5)1(6)7/h1-2,5-9,15,18,20H,3-4,10-13H2;(H,6,7)/t15-;/m0./s1
InChIKeyHBOVNVPPBFSAGE-RSAXXLAASA-N
MW448.46 g/mol
LogP2.21
Rot. Bonds6

About N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid

N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 158430386) has the molecular formula C19H23F3N2O5S and a molecular weight of 448.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID158430386
Molecular FormulaC19H23F3N2O5S
Molecular Weight448.46 g/mol
Exact Mass448.13
IUPAC NameN-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NC[C@H](O)CN1CCCC1)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O3S.C2HF3O2/c20-15(13-19-10-3-4-11-19)12-18-23(21,22)17-9-5-7-14-6-1-2-8-16(14)17;3-2(4,5)1(6)7/h1-2,5-9,15,18,20H,3-4,10-13H2;(H,6,7)/t15-;/m0./s1
InChIKeyHBOVNVPPBFSAGE-RSAXXLAASA-N
XLogP2.21
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 158430386) is N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(=O)(NC[C@H](O)CN1CCCC1)c1cccc2ccccc12.
What is the InChIKey of N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is HBOVNVPPBFSAGE-RSAXXLAASA-N. The full InChI is InChI=1S/C17H22N2O3S.C2HF3O2/c20-15(13-19-10-3-4-11-19)12-18-23(21,22)17-9-5-7-14-6-1-2-8-16(14)17;3-2(4,5)1(6)7/h1-2,5-9,15,18,20H,3-4,10-13H2;(H,6,7)/t15-;/m0./s1.
What are the key properties of N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid?
N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 448.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158430386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).