4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide

C20H24N2O4S — CID 110359732

IUPAC4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-15(23)16-6-9-18(10-7-16)27(24,25)21-19-14-17(8-11-20(19)26-2)22-12-4-3-5-13-22/h6-11,14,21H,3-5,12-13H2,1-2H3
InChIKeyLVRJTVFNFNLDHM-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.69
Rot. Bonds6

About 4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide

4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 110359732) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID110359732
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-15(23)16-6-9-18(10-7-16)27(24,25)21-19-14-17(8-11-20(19)26-2)22-12-4-3-5-13-22/h6-11,14,21H,3-5,12-13H2,1-2H3
InChIKeyLVRJTVFNFNLDHM-UHFFFAOYSA-N
XLogP3.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzenesulfonamide
CID 4968859
4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361895
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 110613237
3,5-dimethoxy-N-(2-methoxy-5-piperidin-1-ylphenyl)benzamide
CID 110359680
3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide (CID 110359732) is 4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide is COc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is LVRJTVFNFNLDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15(23)16-6-9-18(10-7-16)27(24,25)21-19-14-17(8-11-20(19)26-2)22-12-4-3-5-13-22/h6-11,14,21H,3-5,12-13H2,1-2H3.
What are the key properties of 4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110359732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).