4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide

C20H26N2O4S — CID 119979446

IUPAC4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)NCCC3CCCNC3)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-25-17-4-6-18(7-5-17)26-19-8-10-20(11-9-19)27(23,24)22-14-12-16-3-2-13-21-15-16/h4-11,16,21-22H,2-3,12-15H2,1H3
InChIKeyVMZVQOLNBIEJDT-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.16
Rot. Bonds8

About 4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide

4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 119979446) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID119979446
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)NCCC3CCCNC3)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-25-17-4-6-18(7-5-17)26-19-8-10-20(11-9-19)27(23,24)22-14-12-16-3-2-13-21-15-16/h4-11,16,21-22H,2-3,12-15H2,1H3
InChIKeyVMZVQOLNBIEJDT-UHFFFAOYSA-N
XLogP3.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 120710016
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273
3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979534
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide (CID 119979446) is 4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide is COc1ccc(Oc2ccc(S(=O)(=O)NCCC3CCCNC3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is VMZVQOLNBIEJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-25-17-4-6-18(7-5-17)26-19-8-10-20(11-9-19)27(23,24)22-14-12-16-3-2-13-21-15-16/h4-11,16,21-22H,2-3,12-15H2,1H3.
What are the key properties of 4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.16, 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-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 119979446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).