4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide

C15H22N2O4S — CID 142657095

IUPAC4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1CCC(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-21-14-7-6-13(22(16,19)20)11-12(14)5-8-15(18)17-9-3-2-4-10-17/h6-7,11H,2-5,8-10H2,1H3,(H2,16,19,20)
InChIKeyRAGFWTNTBKJQHC-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.29
Rot. Bonds5

About 4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide

4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 142657095) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID142657095
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1CCC(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-21-14-7-6-13(22(16,19)20)11-12(14)5-8-15(18)17-9-3-2-4-10-17/h6-7,11H,2-5,8-10H2,1H3,(H2,16,19,20)
InChIKeyRAGFWTNTBKJQHC-UHFFFAOYSA-N
XLogP1.29
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 100706699
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
3-(5-amino-2,3-dimethoxyphenyl)-1-(azepan-1-yl)propan-1-one
CID 82071286
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
3-(5-bromo-2-methoxyphenyl)-1-(4-methylsulfonylpiperidin-1-yl)propan-1-one
CID 90586402
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
3-[5-ethyl-2-(trifluoromethoxy)phenyl]-1-piperidin-1-ylpropan-1-one
CID 59382505
3-(5-amino-2-ethoxy-3-methoxyphenyl)-1-(azepan-1-yl)propan-1-one
CID 82071287
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
1-[4-(benzenesulfonyl)piperidin-1-yl]-3-(5-bromo-2-methoxyphenyl)propan-1-one
CID 90589247
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide (CID 142657095) is 4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1CCC(=O)N1CCCCC1.
What is the InChIKey of 4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is RAGFWTNTBKJQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-14-7-6-13(22(16,19)20)11-12(14)5-8-15(18)17-9-3-2-4-10-17/h6-7,11H,2-5,8-10H2,1H3,(H2,16,19,20).
What are the key properties of 4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 142657095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).