4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C18H22N2O4S — CID 119974273

IUPAC4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)NCC3CCCN3)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-23-15-4-6-16(7-5-15)24-17-8-10-18(11-9-17)25(21,22)20-13-14-3-2-12-19-14/h4-11,14,19-20H,2-3,12-13H2,1H3
InChIKeyBOPLKURAXDCUAY-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.52
Rot. Bonds7

About 4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 119974273) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID119974273
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)NCC3CCCN3)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-23-15-4-6-16(7-5-15)24-17-8-10-18(11-9-17)25(21,22)20-13-14-3-2-12-19-14/h4-11,14,19-20H,2-3,12-13H2,1H3
InChIKeyBOPLKURAXDCUAY-UHFFFAOYSA-N
XLogP2.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974420
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
CID 42263004
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979446
4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974453
4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974008
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119513298
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]-4-(4-methoxyphenoxy)benzenesulfonamide
CID 167845301
3-methoxy-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974146
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974217

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 119974273) is 4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is COc1ccc(Oc2ccc(S(=O)(=O)NCC3CCCN3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is BOPLKURAXDCUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-23-15-4-6-16(7-5-15)24-17-8-10-18(11-9-17)25(21,22)20-13-14-3-2-12-19-14/h4-11,14,19-20H,2-3,12-13H2,1H3.
What are the key properties of 4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 119974273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).