N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide

C21H24N2O3S — CID 71937850

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCOCC2)cc1)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H24N2O3S/c24-27(25,21-10-7-18-3-1-2-4-19(18)15-21)22-16-17-5-8-20(9-6-17)23-11-13-26-14-12-23/h1-6,8-9,15,22H,7,10-14,16H2
InChIKeyJQRSXYIZXBKFNP-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.93
Rot. Bonds5

About N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide

N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 71937850) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID71937850
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCOCC2)cc1)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H24N2O3S/c24-27(25,21-10-7-18-3-1-2-4-19(18)15-21)22-16-17-5-8-20(9-6-17)23-11-13-26-14-12-23/h1-6,8-9,15,22H,7,10-14,16H2
InChIKeyJQRSXYIZXBKFNP-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18197798
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 55873621
N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110405168
N-[5-[(4-morpholin-4-ylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100726833
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18156495
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 16581972
4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 94249243
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
N-benzyl-4-piperidin-1-ylbenzenesulfonamide
CID 735438
N-benzyl-6-morpholin-4-ylpyridine-3-sulfonamide
CID 154844946
4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890996

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide (CID 71937850) is N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide is O=S(=O)(NCc1ccc(N2CCOCC2)cc1)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is JQRSXYIZXBKFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-27(25,21-10-7-18-3-1-2-4-19(18)15-21)22-16-17-5-8-20(9-6-17)23-11-13-26-14-12-23/h1-6,8-9,15,22H,7,10-14,16H2.
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 71937850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).