N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide

C22H24N2O3S — CID 16892719

IUPACN-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1cccc2ccccc12
InChIInChI=1S/C22H24N2O3S/c25-28(26,22-12-6-10-18-7-4-5-11-20(18)22)23-13-14-24-15-16-27-21(17-24)19-8-2-1-3-9-19/h1-12,21,23H,13-17H2
InChIKeyKIHJYPQPBGPRHZ-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide

N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide (PubChem CID 16892719) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide
PubChem CID16892719
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1cccc2ccccc12
InChIInChI=1S/C22H24N2O3S/c25-28(26,22-12-6-10-18-7-4-5-11-20(18)22)23-13-14-24-15-16-27-21(17-24)19-8-2-1-3-9-19/h1-12,21,23H,13-17H2
InChIKeyKIHJYPQPBGPRHZ-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892682
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
4-tert-butyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892675
2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866566
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
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide
CID 16892749
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
2-naphthalen-1-yl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 51571886
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892762

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide (CID 16892719) is N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide is O=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is KIHJYPQPBGPRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c25-28(26,22-12-6-10-18-7-4-5-11-20(18)22)23-13-14-24-15-16-27-21(17-24)19-8-2-1-3-9-19/h1-12,21,23H,13-17H2.
What are the key properties of N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide?
N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 396.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 16892719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).