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

C24H28N2O3S — CID 51866714

IUPACN-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C24H28N2O3S/c27-30(28,23-13-12-20-8-4-5-11-22(20)18-23)25-14-6-7-15-26-16-17-29-24(19-26)21-9-2-1-3-10-21/h1-5,8-13,18,24-25H,6-7,14-17,19H2/t24-/m1/s1
InChIKeyCCIYRCFZMRTXIS-XMMPIXPASA-N
MW424.57 g/mol
LogP3.97
Rot. Bonds8

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

N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide (PubChem CID 51866714) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
PubChem CID51866714
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C24H28N2O3S/c27-30(28,23-13-12-20-8-4-5-11-22(20)18-23)25-14-6-7-15-26-16-17-29-24(19-26)21-9-2-1-3-10-21/h1-5,8-13,18,24-25H,6-7,14-17,19H2/t24-/m1/s1
InChIKeyCCIYRCFZMRTXIS-XMMPIXPASA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.97
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-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
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
2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16892861
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734
2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide
CID 16892892
5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide (CID 51866714) is N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide is O=S(=O)(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide?
The InChIKey is CCIYRCFZMRTXIS-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28N2O3S/c27-30(28,23-13-12-20-8-4-5-11-22(20)18-23)25-14-6-7-15-26-16-17-29-24(19-26)21-9-2-1-3-10-21/h1-5,8-13,18,24-25H,6-7,14-17,19H2/t24-/m1/s1.
What are the key properties of N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide?
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide has a molecular weight of 424.57 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 51866714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).