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

C19H22Cl2N2O2S — CID 132664382

IUPAC2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCC1CCCN(c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1
InChIInChI=1S/C19H22Cl2N2O2S/c1-14-3-2-10-23(13-14)17-7-4-15(5-8-17)12-22-26(24,25)19-11-16(20)6-9-18(19)21/h4-9,11,14,22H,2-3,10,12-13H2,1H3
InChIKeyHISWUPUQVWCNJE-UHFFFAOYSA-N
MW413.37 g/mol
LogP4.71
Rot. Bonds5

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

2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 132664382) has the molecular formula C19H22Cl2N2O2S and a molecular weight of 413.37 g/mol. Its IUPAC name is 2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID132664382
Molecular FormulaC19H22Cl2N2O2S
Molecular Weight413.37 g/mol
Exact Mass412.08
IUPAC Name2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCC1CCCN(c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1
InChIInChI=1S/C19H22Cl2N2O2S/c1-14-3-2-10-23(13-14)17-7-4-15(5-8-17)12-22-26(24,25)19-11-16(20)6-9-18(19)21/h4-9,11,14,22H,2-3,10,12-13H2,1H3
InChIKeyHISWUPUQVWCNJE-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 54.71
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

2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132655966
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-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
4-methoxy-2-methyl-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzenesulfonamide
CID 125058439
methyl 4-methyl-3-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]benzoate
CID 132665048
3-[(4-chlorophenyl)methyl]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100753232
4-chloro-N-[5-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100715371
[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191359
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 133228886
2-methyl-N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 133184701

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide (CID 132664382) is 2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide is CC1CCCN(c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1.
What is the InChIKey of 2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is HISWUPUQVWCNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2S/c1-14-3-2-10-23(13-14)17-7-4-15(5-8-17)12-22-26(24,25)19-11-16(20)6-9-18(19)21/h4-9,11,14,22H,2-3,10,12-13H2,1H3.
What are the key properties of 2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide?
2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 413.37 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 132664382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).