4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C21H28N2O6S2 — CID 30867486

IUPAC4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H28N2O6S2/c1-17-6-7-18(16-21(17)31(26,27)23-12-4-3-5-13-23)22-30(24,25)20-10-8-19(9-11-20)29-15-14-28-2/h6-11,16,22H,3-5,12-15H2,1-2H3
InChIKeyAYPBKCUPYZVFQD-UHFFFAOYSA-N
MW468.60 g/mol
LogP3.00
Rot. Bonds9

About 4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 30867486) has the molecular formula C21H28N2O6S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID30867486
Molecular FormulaC21H28N2O6S2
Molecular Weight468.60 g/mol
Exact Mass468.14
IUPAC Name4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H28N2O6S2/c1-17-6-7-18(16-21(17)31(26,27)23-12-4-3-5-13-23)22-30(24,25)20-10-8-19(9-11-20)29-15-14-28-2/h6-11,16,22H,3-5,12-15H2,1-2H3
InChIKeyAYPBKCUPYZVFQD-UHFFFAOYSA-N
XLogP3.00
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 30867520
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide
CID 55358975
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 3914905
4-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26978988
3-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 3263059
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713260
2-(4-ethoxyphenoxy)ethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 4316731
3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 33181811
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 30867486) is 4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is AYPBKCUPYZVFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S2/c1-17-6-7-18(16-21(17)31(26,27)23-12-4-3-5-13-23)22-30(24,25)20-10-8-19(9-11-20)29-15-14-28-2/h6-11,16,22H,3-5,12-15H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 468.60 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 30867486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).