N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide

C20H26N2O3S — CID 2913944

IUPACN-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(O)CN2CCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-17-9-11-18(12-10-17)22(16-19(23)15-21-13-5-6-14-21)26(24,25)20-7-3-2-4-8-20/h2-4,7-12,19,23H,5-6,13-16H2,1H3
InChIKeyDJZWPMWOJCHJCS-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.65
Rot. Bonds7

About N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide

N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 2913944) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide
PubChem CID2913944
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(O)CN2CCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-17-9-11-18(12-10-17)22(16-19(23)15-21-13-5-6-14-21)26(24,25)20-7-3-2-4-8-20/h2-4,7-12,19,23H,5-6,13-16H2,1H3
InChIKeyDJZWPMWOJCHJCS-UHFFFAOYSA-N
XLogP2.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide (CID 2913944) is N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(CC(O)CN2CCCC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is DJZWPMWOJCHJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-17-9-11-18(12-10-17)22(16-19(23)15-21-13-5-6-14-21)26(24,25)20-7-3-2-4-8-20/h2-4,7-12,19,23H,5-6,13-16H2,1H3.
What are the key properties of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide?
N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2913944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).