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

C22H26N2O3S — CID 18197798

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1CN1CCOCC1)C1=Cc2ccccc2CC1
InChIInChI=1S/C22H26N2O3S/c25-28(26,22-10-9-18-5-1-2-6-19(18)15-22)23-16-20-7-3-4-8-21(20)17-24-11-13-27-14-12-24/h1-8,15,23H,9-14,16-17H2
InChIKeyJBSJONDXUZNDPO-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.93
Rot. Bonds6

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

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 18197798) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID18197798
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1CN1CCOCC1)C1=Cc2ccccc2CC1
InChIInChI=1S/C22H26N2O3S/c25-28(26,22-10-9-18-5-1-2-6-19(18)15-22)23-16-20-7-3-4-8-21(20)17-24-11-13-27-14-12-24/h1-8,15,23H,9-14,16-17H2
InChIKeyJBSJONDXUZNDPO-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 71937850
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 16575083
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190635
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18156495
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide
CID 107650766
2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190612
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9190592
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
1-acetyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531392
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 16581972

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide (CID 18197798) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide is O=S(=O)(NCc1ccccc1CN1CCOCC1)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is JBSJONDXUZNDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-28(26,22-10-9-18-5-1-2-6-19(18)15-22)23-16-20-7-3-4-8-21(20)17-24-11-13-27-14-12-24/h1-8,15,23H,9-14,16-17H2.
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 2.93, 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-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 18197798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).