N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C22H28N2O3S — CID 16892711

IUPACN-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2O3S/c25-28(26,21-11-10-18-6-4-5-9-20(18)16-21)23-12-13-24-14-15-27-22(17-24)19-7-2-1-3-8-19/h1-3,7-8,10-11,16,22-23H,4-6,9,12-15,17H2
InChIKeyULIHZQXLIMACQJ-UHFFFAOYSA-N
MW400.54 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 16892711) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID16892711
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2O3S/c25-28(26,21-11-10-18-6-4-5-9-20(18)16-21)23-12-13-24-14-15-27-22(17-24)19-7-2-1-3-8-19/h1-3,7-8,10-11,16,22-23H,4-6,9,12-15,17H2
InChIKeyULIHZQXLIMACQJ-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
3,4-dimethoxy-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892679
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 30851072
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
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
N-[2-fluoro-4-[2-(2-phenylmorpholin-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 16892734
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866566
2-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892682
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]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 16892711) is N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is ULIHZQXLIMACQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c25-28(26,21-11-10-18-6-4-5-9-20(18)16-21)23-12-13-24-14-15-27-22(17-24)19-7-2-1-3-8-19/h1-3,7-8,10-11,16,22-23H,4-6,9,12-15,17H2.
What are the key properties of N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 400.54 g/mol, XLogP of 2.92, 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]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 16892711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).