2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide

C15H24N2O3S — CID 43064565

IUPAC2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(C)N2CCOCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-12-4-5-13(2)15(10-12)21(18,19)16-11-14(3)17-6-8-20-9-7-17/h4-5,10,14,16H,6-9,11H2,1-3H3
InChIKeyLJVLWCLUKQWABM-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.30
Rot. Bonds5

About 2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide

2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 43064565) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID43064565
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(C)N2CCOCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-12-4-5-13(2)15(10-12)21(18,19)16-11-14(3)17-6-8-20-9-7-17/h4-5,10,14,16H,6-9,11H2,1-3H3
InChIKeyLJVLWCLUKQWABM-UHFFFAOYSA-N
XLogP1.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506407
2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064542
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
2-methyl-N-(2-morpholin-4-ylpropyl)-3-nitrobenzenesulfonamide
CID 46445130
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43044296
2-methoxy-4,5-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 22694281
2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 9125340
N-[(2R)-2-morpholin-4-ylpropyl]-4-phenylbenzenesulfonamide
CID 39835568
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylbutyl)benzenesulfonamide
CID 20935805
2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 48629418
N-[(2S)-2-morpholin-4-ylpropyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51873210
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide (CID 43064565) is 2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC(C)N2CCOCC2)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is LJVLWCLUKQWABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-4-5-13(2)15(10-12)21(18,19)16-11-14(3)17-6-8-20-9-7-17/h4-5,10,14,16H,6-9,11H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 43064565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).