4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride

C18H30ClN3O3S — CID 146065088

IUPAC4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N(CCN2CCCC2)C2CCNC2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-2-24-17-5-7-18(8-6-17)25(22,23)21(16-9-10-19-15-16)14-13-20-11-3-4-12-20;/h5-8,16,19H,2-4,9-15H2,1H3;1H
InChIKeyWPYZIPWEWVNHLU-UHFFFAOYSA-N
MW403.98 g/mol
LogP1.96
Rot. Bonds8

About 4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride

4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 146065088) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is 4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID146065088
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC Name4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N(CCN2CCCC2)C2CCNC2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-2-24-17-5-7-18(8-6-17)25(22,23)21(16-9-10-19-15-16)14-13-20-11-3-4-12-20;/h5-8,16,19H,2-4,9-15H2,1H3;1H
InChIKeyWPYZIPWEWVNHLU-UHFFFAOYSA-N
XLogP1.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110753644
N-ethyl-4-propoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299303
N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 146065101
3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 146065125
N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride
CID 146065089
N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 107173129
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 50788677
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
N-cyclopentyl-4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788659
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 146065152

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride (CID 146065088) is 4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride is CCOc1ccc(S(=O)(=O)N(CCN2CCCC2)C2CCNC2)cc1.Cl.
What is the InChIKey of 4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is WPYZIPWEWVNHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-2-24-17-5-7-18(8-6-17)25(22,23)21(16-9-10-19-15-16)14-13-20-11-3-4-12-20;/h5-8,16,19H,2-4,9-15H2,1H3;1H.
What are the key properties of 4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride?
4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 146065088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).