4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C15H24N2O3S — CID 106610228

IUPAC4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCO)CC2CCCN2)cc1
InChIInChI=1S/C15H24N2O3S/c1-2-13-5-7-15(8-6-13)21(19,20)17(10-11-18)12-14-4-3-9-16-14/h5-8,14,16,18H,2-4,9-12H2,1H3
InChIKeyACBUSSWPFHPLLJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.98
Rot. Bonds7

About 4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106610228) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106610228
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCO)CC2CCCN2)cc1
InChIInChI=1S/C15H24N2O3S/c1-2-13-5-7-15(8-6-13)21(19,20)17(10-11-18)12-14-4-3-9-16-14/h5-8,14,16,18H,2-4,9-12H2,1H3
InChIKeyACBUSSWPFHPLLJ-UHFFFAOYSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599587
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610190
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
2,4-difluoro-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610277
N-(2-hydroxyethyl)-2,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610343
2-fluoro-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610377
2-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610463
4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610003
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
N-methyl-4-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607107
4-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609631

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106610228) is 4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)N(CCO)CC2CCCN2)cc1.
What is the InChIKey of 4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is ACBUSSWPFHPLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-13-5-7-15(8-6-13)21(19,20)17(10-11-18)12-14-4-3-9-16-14/h5-8,14,16,18H,2-4,9-12H2,1H3.
What are the key properties of 4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106610228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).