3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide

C26H28N2O4S — CID 3916378

IUPAC3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)c2)CC1
InChIInChI=1S/C26H28N2O4S/c1-20-14-16-28(17-15-20)26(29)22-8-5-9-25(18-22)33(30,31)27-23-10-12-24(13-11-23)32-19-21-6-3-2-4-7-21/h2-13,18,20,27H,14-17,19H2,1H3
InChIKeyVADGBVQBZUJGEJ-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.94
Rot. Bonds7

About 3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide

3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 3916378) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID3916378
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)c2)CC1
InChIInChI=1S/C26H28N2O4S/c1-20-14-16-28(17-15-20)26(29)22-8-5-9-25(18-22)33(30,31)27-23-10-12-24(13-11-23)32-19-21-6-3-2-4-7-21/h2-13,18,20,27H,14-17,19H2,1H3
InChIKeyVADGBVQBZUJGEJ-UHFFFAOYSA-N
XLogP4.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826640
N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984649
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038
N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide
CID 55867643
N-(4-ethoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255853
3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 55987572
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide (CID 3916378) is 3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide is CC1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)c2)CC1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is VADGBVQBZUJGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-20-14-16-28(17-15-20)26(29)22-8-5-9-25(18-22)33(30,31)27-23-10-12-24(13-11-23)32-19-21-6-3-2-4-7-21/h2-13,18,20,27H,14-17,19H2,1H3.
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 464.59 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3916378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).