N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide

C22H24N2O3S — CID 47023208

IUPACN-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O3S/c25-28(26,21-11-10-18-6-4-5-9-20(18)16-21)23-17-22(19-7-2-1-3-8-19)24-12-14-27-15-13-24/h1-11,16,22-23H,12-15,17H2
InChIKeyQWEMRBRUOGHGIJ-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.19
Rot. Bonds6

About N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide

N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide (PubChem CID 47023208) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
PubChem CID47023208
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O3S/c25-28(26,21-11-10-18-6-4-5-9-20(18)16-21)23-17-22(19-7-2-1-3-8-19)24-12-14-27-15-13-24/h1-11,16,22-23H,12-15,17H2
InChIKeyQWEMRBRUOGHGIJ-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

N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-2-sulfonamide
CID 7498084
2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598948
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598879
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
3,4-difluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42891982
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]naphthalene-2-sulfonamide
CID 40863993
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344578
4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369
2,4-difluoro-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 94008610
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide (CID 47023208) is N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide is O=S(=O)(NCC(c1ccccc1)N1CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide?
The InChIKey is QWEMRBRUOGHGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c25-28(26,21-11-10-18-6-4-5-9-20(18)16-21)23-17-22(19-7-2-1-3-8-19)24-12-14-27-15-13-24/h1-11,16,22-23H,12-15,17H2.
What are the key properties of N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide?
N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-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-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 47023208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).