N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide

C13H22N2O5S2 — CID 113066106

IUPACN-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
SMILESCOCCCN(CCNS(=O)(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H22N2O5S2/c1-20-12-6-10-15(21(2,16)17)11-9-14-22(18,19)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3
InChIKeyLHXOJMSREZAMKM-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.26
Rot. Bonds10

About N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide

N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide (PubChem CID 113066106) has the molecular formula C13H22N2O5S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
PubChem CID113066106
Molecular FormulaC13H22N2O5S2
Molecular Weight350.46 g/mol
Exact Mass350.10
IUPAC NameN-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
SMILESCOCCCN(CCNS(=O)(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H22N2O5S2/c1-20-12-6-10-15(21(2,16)17)11-9-14-22(18,19)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3
InChIKeyLHXOJMSREZAMKM-UHFFFAOYSA-N
XLogP0.26
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113066109
N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064904
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
4-chloro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113066039
4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113066025
N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065032
3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 11978633
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109059915
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]methanesulfonamide
CID 113066009
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide (CID 113066106) is N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide is COCCCN(CCNS(=O)(=O)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The InChIKey is LHXOJMSREZAMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S2/c1-20-12-6-10-15(21(2,16)17)11-9-14-22(18,19)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3.
What are the key properties of N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide has a molecular weight of 350.46 g/mol, XLogP of 0.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113066106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).