2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide

C21H28N2O3S — CID 16891005

IUPAC2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-17-5-10-21(18(2)16-17)27(24,25)22-11-3-4-19-6-8-20(9-7-19)23-12-14-26-15-13-23/h5-10,16,22H,3-4,11-15H2,1-2H3
InChIKeyISLCKTRVROASBK-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.05
Rot. Bonds7

About 2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide

2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide (PubChem CID 16891005) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
PubChem CID16891005
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-17-5-10-21(18(2)16-17)27(24,25)22-11-3-4-19-6-8-20(9-7-19)23-12-14-26-15-13-23/h5-10,16,22H,3-4,11-15H2,1-2H3
InChIKeyISLCKTRVROASBK-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide
CID 16891034
4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891028
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890996
5-chloro-2-methyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890954
1-(2,5-dimethylphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]methanesulfonamide
CID 16890973
N-[3-(4-morpholin-4-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16891013
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 70702502
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide
CID 16891041
1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide
CID 16891200
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide (CID 16891005) is 2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCc2ccc(N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The InChIKey is ISLCKTRVROASBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-17-5-10-21(18(2)16-17)27(24,25)22-11-3-4-19-6-8-20(9-7-19)23-12-14-26-15-13-23/h5-10,16,22H,3-4,11-15H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide has a molecular weight of 388.53 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 16891005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).