N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C15H24N2O3S — CID 141074930

IUPACN-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCCN(CC(O)CN1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-2-17(13-14(18)12-16-10-6-7-11-16)21(19,20)15-8-4-3-5-9-15/h3-5,8-9,14,18H,2,6-7,10-13H2,1H3
InChIKeyNXYWEZOJVCKOML-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.15
Rot. Bonds7

About N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 141074930) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID141074930
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCCN(CC(O)CN1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-2-17(13-14(18)12-16-10-6-7-11-16)21(19,20)15-8-4-3-5-9-15/h3-5,8-9,14,18H,2,6-7,10-13H2,1H3
InChIKeyNXYWEZOJVCKOML-UHFFFAOYSA-N
XLogP1.15
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylmethanesulfonamide
CID 90941820
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-nitrophenyl)benzenesulfonamide;hydrochloride
CID 52998314
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylbenzenesulfonamide
CID 3133092
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1077008
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 1300584
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 6549429
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide
CID 3293139
N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 1125517
N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 1077012
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3151264
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3152323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 141074930) is N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is CCN(CC(O)CN1CCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is NXYWEZOJVCKOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-17(13-14(18)12-16-10-6-7-11-16)21(19,20)15-8-4-3-5-9-15/h3-5,8-9,14,18H,2,6-7,10-13H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 141074930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).