4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide

C14H22N2O3S — CID 80563620

IUPAC4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2CCNC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-9-19-13-3-5-14(6-4-13)20(17,18)16-11-12-7-8-15-10-12/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyUGFWTULXIFHDRD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.36
Rot. Bonds7

About 4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide

4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide (PubChem CID 80563620) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
PubChem CID80563620
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2CCNC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-9-19-13-3-5-14(6-4-13)20(17,18)16-11-12-7-8-15-10-12/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyUGFWTULXIFHDRD-UHFFFAOYSA-N
XLogP1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822
N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299303
N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721010
3-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 81259552
3-[2-(4-methylsulfonylphenoxy)ethyl]pyrrolidine
CID 114796528
4-propoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888065
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide (CID 80563620) is 4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCC2CCNC2)cc1.
What is the InChIKey of 4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide?
The InChIKey is UGFWTULXIFHDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-9-19-13-3-5-14(6-4-13)20(17,18)16-11-12-7-8-15-10-12/h3-6,12,15-16H,2,7-11H2,1H3.
What are the key properties of 4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide?
4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 80563620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).