4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide

C20H24N2O4S — CID 72930852

IUPAC4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC(C)(c2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-20(15-7-4-3-5-8-15)11-6-12-22(14-20)19(23)17-13-16(27(21,24)25)9-10-18(17)26-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H2,21,24,25)
InChIKeyKDWUCCONIFGKNH-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.54
Rot. Bonds4

About 4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide

4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 72930852) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID72930852
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC(C)(c2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-20(15-7-4-3-5-8-15)11-6-12-22(14-20)19(23)17-13-16(27(21,24)25)9-10-18(17)26-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H2,21,24,25)
InChIKeyKDWUCCONIFGKNH-UHFFFAOYSA-N
XLogP2.54
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid
CID 70715759
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
CID 120816046
2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 139000603
2-[2-methoxy-4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 119129651
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-4-methoxybenzenesulfonamide
CID 120747556
(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72938900
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934
4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576893
2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120989835
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97125905
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 30238743
4-methoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 18776283

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide (CID 72930852) is 4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC(C)(c2ccccc2)C1.
What is the InChIKey of 4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is KDWUCCONIFGKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-20(15-7-4-3-5-8-15)11-6-12-22(14-20)19(23)17-13-16(27(21,24)25)9-10-18(17)26-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H2,21,24,25).
What are the key properties of 4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide?
4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 72930852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).