N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide

C21H28N2O3S — CID 121141772

IUPACN-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCOC1CCCN(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)C1
InChIInChI=1S/C21H28N2O3S/c1-15-12-17(3)21(13-16(15)2)27(24,25)22-18-7-9-19(10-8-18)23-11-5-6-20(14-23)26-4/h7-10,12-13,20,22H,5-6,11,14H2,1-4H3
InChIKeyAXSQMPBVDQMJRS-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.03
Rot. Bonds5

About N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide

N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide (PubChem CID 121141772) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide
PubChem CID121141772
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCOC1CCCN(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)C1
InChIInChI=1S/C21H28N2O3S/c1-15-12-17(3)21(13-16(15)2)27(24,25)22-18-7-9-19(10-8-18)23-11-5-6-20(14-23)26-4/h7-10,12-13,20,22H,5-6,11,14H2,1-4H3
InChIKeyAXSQMPBVDQMJRS-UHFFFAOYSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 121141754
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 121141771
5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 121141761
4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 121141816
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141504
2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide
CID 121141795
3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 121141552
3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595569
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90595606

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide (CID 121141772) is N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide is COC1CCCN(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is AXSQMPBVDQMJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15-12-17(3)21(13-16(15)2)27(24,25)22-18-7-9-19(10-8-18)23-11-5-6-20(14-23)26-4/h7-10,12-13,20,22H,5-6,11,14H2,1-4H3.
What are the key properties of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide?
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 388.53 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 121141772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).