N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide

C14H22N2O3S — CID 167810240

IUPACN-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccccc1N1CCCC1
InChIInChI=1S/C14H22N2O3S/c1-19-12-6-9-15-20(17,18)14-8-3-2-7-13(14)16-10-4-5-11-16/h2-3,7-8,15H,4-6,9-12H2,1H3
InChIKeyWDPQNEVACDZFML-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.60
Rot. Bonds7

About N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide

N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 167810240) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID167810240
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccccc1N1CCCC1
InChIInChI=1S/C14H22N2O3S/c1-19-12-6-9-15-20(17,18)14-8-3-2-7-13(14)16-10-4-5-11-16/h2-3,7-8,15H,4-6,9-12H2,1H3
InChIKeyWDPQNEVACDZFML-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.60
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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Related Compounds

3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 55230128
2-bromo-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121896
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 78843443
3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 11978633
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide
CID 102986774
2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 115300944
3-amino-N-(3-methoxypropyl)-2-nitrobenzenesulfonamide
CID 112675302
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110759335
2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide
CID 115600011

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide (CID 167810240) is N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide is COCCCNS(=O)(=O)c1ccccc1N1CCCC1.
What is the InChIKey of N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is WDPQNEVACDZFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-12-6-9-15-20(17,18)14-8-3-2-7-13(14)16-10-4-5-11-16/h2-3,7-8,15H,4-6,9-12H2,1H3.
What are the key properties of N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide?
N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 167810240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).