2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide

C20H23ClN2O4S — CID 39580688

IUPAC2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)N2CCC(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-22(27-2)28(25,26)19-14-17(8-9-18(19)21)20(24)23-12-10-16(11-13-23)15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3
InChIKeySXIVJSSJKWXYJX-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.54
Rot. Bonds5

About 2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide

2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 39580688) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID39580688
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)N2CCC(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-22(27-2)28(25,26)19-14-17(8-9-18(19)21)20(24)23-12-10-16(11-13-23)15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3
InChIKeySXIVJSSJKWXYJX-UHFFFAOYSA-N
XLogP3.54
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide
CID 51204778
2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 60605685
2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56533013
5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
CID 26500757
4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
CID 26244416
2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660961
2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
CID 633858
(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 26773669
1-[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669392
N-methoxy-N-methyl-4-phenylpiperidine-1-carboxamide
CID 139678223
4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666744
(2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 46825504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide (CID 39580688) is 2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide is CON(C)S(=O)(=O)c1cc(C(=O)N2CCC(c3ccccc3)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is SXIVJSSJKWXYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-22(27-2)28(25,26)19-14-17(8-9-18(19)21)20(24)23-12-10-16(11-13-23)15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3.
What are the key properties of 2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 422.93 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 39580688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).