2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide

C21H28N2O2S — CID 132655966

IUPAC2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCCC(C)C3)cc2)c1
InChIInChI=1S/C21H28N2O2S/c1-16-6-7-18(3)21(13-16)26(24,25)22-14-19-8-10-20(11-9-19)23-12-4-5-17(2)15-23/h6-11,13,17,22H,4-5,12,14-15H2,1-3H3
InChIKeyJHMHOXVLUVWPFC-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.02
Rot. Bonds5

About 2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide

2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 132655966) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID132655966
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCCC(C)C3)cc2)c1
InChIInChI=1S/C21H28N2O2S/c1-16-6-7-18(3)21(13-16)26(24,25)22-14-19-8-10-20(11-9-19)23-12-4-5-17(2)15-23/h6-11,13,17,22H,4-5,12,14-15H2,1-3H3
InChIKeyJHMHOXVLUVWPFC-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-methyl-3-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzoate
CID 132665048
2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132664382
4-methoxy-2-methyl-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzenesulfonamide
CID 125058439
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 53278603
5-bromo-2-methoxy-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 133210812
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557708
2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640329
4-methyl-N-[5-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100698955
2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55464498
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 121141754

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide (CID 132655966) is 2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCCC(C)C3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is JHMHOXVLUVWPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-16-6-7-18(3)21(13-16)26(24,25)22-14-19-8-10-20(11-9-19)23-12-4-5-17(2)15-23/h6-11,13,17,22H,4-5,12,14-15H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 132655966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).