2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

C17H20ClN3O4S2 — CID 56533013

IUPAC2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)N2CCCC(c3nccs3)C2)ccc1Cl
InChIInChI=1S/C17H20ClN3O4S2/c1-20(25-2)27(23,24)15-10-12(5-6-14(15)18)17(22)21-8-3-4-13(11-21)16-19-7-9-26-16/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKeyLDYVNBBOZRQYBM-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.00
Rot. Bonds5

About 2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 56533013) has the molecular formula C17H20ClN3O4S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID56533013
Molecular FormulaC17H20ClN3O4S2
Molecular Weight429.95 g/mol
Exact Mass429.06
IUPAC Name2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)N2CCCC(c3nccs3)C2)ccc1Cl
InChIInChI=1S/C17H20ClN3O4S2/c1-20(25-2)27(23,24)15-10-12(5-6-14(15)18)17(22)21-8-3-4-13(11-21)16-19-7-9-26-16/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKeyLDYVNBBOZRQYBM-UHFFFAOYSA-N
XLogP3.00
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532831
2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532917
2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide
CID 51204778
2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 39580688
(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579291
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 125006902
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129
(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532948
ethyl 1-[4-chloro-3-(dimethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46418772
2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione
CID 56579447
4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
CID 26244416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 56533013) is 2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is CON(C)S(=O)(=O)c1cc(C(=O)N2CCCC(c3nccs3)C2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is LDYVNBBOZRQYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S2/c1-20(25-2)27(23,24)15-10-12(5-6-14(15)18)17(22)21-8-3-4-13(11-21)16-19-7-9-26-16/h5-7,9-10,13H,3-4,8,11H2,1-2H3.
What are the key properties of 2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 429.95 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 56533013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).