N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide

C15H24N2O3S — CID 60855885

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2ccc(C(C)O)cc2)C1
InChIInChI=1S/C15H24N2O3S/c1-3-17-9-8-13(11-17)10-16-21(19,20)15-6-4-14(5-7-15)12(2)18/h4-7,12-13,16,18H,3,8-11H2,1-2H3
InChIKeyPKTPUTUVAZUHMK-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.36
Rot. Bonds6

About N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 60855885) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
PubChem CID60855885
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2ccc(C(C)O)cc2)C1
InChIInChI=1S/C15H24N2O3S/c1-3-17-9-8-13(11-17)10-16-21(19,20)15-6-4-14(5-7-15)12(2)18/h4-7,12-13,16,18H,3,8-11H2,1-2H3
InChIKeyPKTPUTUVAZUHMK-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62146860
4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60860756
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 60857328
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 60855529
N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 93343039
3-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 60857196
4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide
CID 60856715
4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80585886
4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60854923
3-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 60857487
4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465004
N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 60917467

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide (CID 60855885) is N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide is CCN1CCC(CNS(=O)(=O)c2ccc(C(C)O)cc2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is PKTPUTUVAZUHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-17-9-8-13(11-17)10-16-21(19,20)15-6-4-14(5-7-15)12(2)18/h4-7,12-13,16,18H,3,8-11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 60855885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).