N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide

C23H26N2O3S — CID 30851092

IUPACN-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O3S/c26-29(27,22-12-11-19-7-4-5-10-21(19)17-22)24-13-6-14-25-15-16-28-23(18-25)20-8-2-1-3-9-20/h1-5,7-12,17,23-24H,6,13-16,18H2/t23-/m1/s1
InChIKeyXBAVBJSAOLWBKB-HSZRJFAPSA-N
MW410.54 g/mol
LogP3.58
Rot. Bonds7

About N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide

N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide (PubChem CID 30851092) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
PubChem CID30851092
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O3S/c26-29(27,22-12-11-19-7-4-5-10-21(19)17-22)24-13-6-14-25-15-16-28-23(18-25)20-8-2-1-3-9-20/h1-5,7-12,17,23-24H,6,13-16,18H2/t23-/m1/s1
InChIKeyXBAVBJSAOLWBKB-HSZRJFAPSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892762
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 168832226
N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16892711
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 30851072
3,4-dimethoxy-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892679
3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892691
4-tert-butyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892675
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide (CID 30851092) is N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide is O=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide?
The InChIKey is XBAVBJSAOLWBKB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26N2O3S/c26-29(27,22-12-11-19-7-4-5-10-21(19)17-22)24-13-6-14-25-15-16-28-23(18-25)20-8-2-1-3-9-20/h1-5,7-12,17,23-24H,6,13-16,18H2/t23-/m1/s1.
What are the key properties of N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide?
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 30851092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).