N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide

C19H24N2O4S — CID 25042421

IUPACN-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCN(Cc2ccc(OCCO)cc2)C1)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c22-12-13-25-18-8-6-16(7-9-18)14-21-11-10-17(15-21)20-26(23,24)19-4-2-1-3-5-19/h1-9,17,20,22H,10-15H2/t17-/m0/s1
InChIKeyGNAYSVAOFTVGSN-KRWDZBQOSA-N
MW376.48 g/mol
LogP1.61
Rot. Bonds8

About N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide

N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 25042421) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
PubChem CID25042421
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCN(Cc2ccc(OCCO)cc2)C1)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c22-12-13-25-18-8-6-16(7-9-18)14-21-11-10-17(15-21)20-26(23,24)19-4-2-1-3-5-19/h1-9,17,20,22H,10-15H2/t17-/m0/s1
InChIKeyGNAYSVAOFTVGSN-KRWDZBQOSA-N
XLogP1.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25046055
N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25040869
4-chloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25037622
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 25041633
N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25035195
3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25042420
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide
CID 25045018
N-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]benzenesulfonamide
CID 10115587
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091
4-fluoro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 71456782

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide (CID 25042421) is N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@H]1CCN(Cc2ccc(OCCO)cc2)C1)c1ccccc1.
What is the InChIKey of N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is GNAYSVAOFTVGSN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O4S/c22-12-13-25-18-8-6-16(7-9-18)14-21-11-10-17(15-21)20-26(23,24)19-4-2-1-3-5-19/h1-9,17,20,22H,10-15H2/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide?
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 25042421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).