4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride

C19H25ClN2O4S — CID 119977148

IUPAC4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)NCCC3CCNC3)cc2)cc1.Cl
InChIInChI=1S/C19H24N2O4S.ClH/c1-24-16-2-4-17(5-3-16)25-18-6-8-19(9-7-18)26(22,23)21-13-11-15-10-12-20-14-15;/h2-9,15,20-21H,10-14H2,1H3;1H
InChIKeyTVVYUQOOVFJANF-UHFFFAOYSA-N
MW412.94 g/mol
LogP3.19
Rot. Bonds8

About 4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride

4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 119977148) has the molecular formula C19H25ClN2O4S and a molecular weight of 412.94 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID119977148
Molecular FormulaC19H25ClN2O4S
Molecular Weight412.94 g/mol
Exact Mass412.12
IUPAC Name4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)NCCC3CCNC3)cc2)cc1.Cl
InChIInChI=1S/C19H24N2O4S.ClH/c1-24-16-2-4-17(5-3-16)25-18-6-8-19(9-7-18)26(22,23)21-13-11-15-10-12-20-14-15;/h2-9,15,20-21H,10-14H2,1H3;1H
InChIKeyTVVYUQOOVFJANF-UHFFFAOYSA-N
XLogP3.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979446
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
4-bromo-3-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977366
4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977232
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119536771
N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119977058
4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63622886
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977075

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride (CID 119977148) is 4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride is COc1ccc(Oc2ccc(S(=O)(=O)NCCC3CCNC3)cc2)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is TVVYUQOOVFJANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S.ClH/c1-24-16-2-4-17(5-3-16)25-18-6-8-19(9-7-18)26(22,23)21-13-11-15-10-12-20-14-15;/h2-9,15,20-21H,10-14H2,1H3;1H.
What are the key properties of 4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 412.94 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119977148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).