2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C15H24N2O3S — CID 2098658

IUPAC2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-13-4-5-14(2)15(12-13)21(18,19)16-6-3-7-17-8-10-20-11-9-17/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyXNBHIJOEQKCAFZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.30
Rot. Bonds6

About 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 2098658) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID2098658
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-13-4-5-14(2)15(12-13)21(18,19)16-6-3-7-17-8-10-20-11-9-17/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyXNBHIJOEQKCAFZ-UHFFFAOYSA-N
XLogP1.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 2098658) is 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is XNBHIJOEQKCAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13-4-5-14(2)15(12-13)21(18,19)16-6-3-7-17-8-10-20-11-9-17/h4-5,12,16H,3,6-11H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2098658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).