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

C17H20ClN3O3S2 — CID 56532831

IUPAC2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCC(c3nccs3)C2)ccc1Cl
InChIInChI=1S/C17H20ClN3O3S2/c1-20(2)26(23,24)15-10-12(5-6-14(15)18)17(22)21-8-3-4-13(11-21)16-19-7-9-25-16/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKeyDFYJFYKZVSSOKP-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.07
Rot. Bonds4

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

2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 56532831) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID56532831
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC Name2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCC(c3nccs3)C2)ccc1Cl
InChIInChI=1S/C17H20ClN3O3S2/c1-20(2)26(23,24)15-10-12(5-6-14(15)18)17(22)21-8-3-4-13(11-21)16-19-7-9-25-16/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKeyDFYJFYKZVSSOKP-UHFFFAOYSA-N
XLogP3.07
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532917
ethyl 1-[4-chloro-3-(dimethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46418772
(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
2-cyclohexyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]isoindole-1,3-dione
CID 56579447
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964
(4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125016375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 56532831) is 2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is CN(C)S(=O)(=O)c1cc(C(=O)N2CCCC(c3nccs3)C2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is DFYJFYKZVSSOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c1-20(2)26(23,24)15-10-12(5-6-14(15)18)17(22)21-8-3-4-13(11-21)16-19-7-9-25-16/h5-7,9-10,13H,3-4,8,11H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 413.95 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 56532831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).