4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide

C19H25ClN4O4S — CID 60525436

IUPAC4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(c3nc(C)no3)CC2)c1
InChIInChI=1S/C19H25ClN4O4S/c1-4-24(5-2)29(26,27)15-6-7-17(20)16(12-15)19(25)23-10-8-14(9-11-23)18-21-13(3)22-28-18/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeyJQHPOPIJVCAAIP-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.08
Rot. Bonds6

About 4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide

4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 60525436) has the molecular formula C19H25ClN4O4S and a molecular weight of 440.95 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID60525436
Molecular FormulaC19H25ClN4O4S
Molecular Weight440.95 g/mol
Exact Mass440.13
IUPAC Name4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(c3nc(C)no3)CC2)c1
InChIInChI=1S/C19H25ClN4O4S/c1-4-24(5-2)29(26,27)15-6-7-17(20)16(12-15)19(25)23-10-8-14(9-11-23)18-21-13(3)22-28-18/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeyJQHPOPIJVCAAIP-UHFFFAOYSA-N
XLogP3.08
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
(2-chloro-4,5-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129491670
3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide
CID 26080208
N,N-diethyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832166
(3-methoxy-1-methylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155954051
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
(5-chlorothiophen-2-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136577922
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136530737
(2,6-dimethylquinolin-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885034
4-chloro-N,N-diethyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 31328097
3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N,N-diethyl-4-methylbenzenesulfonamide
CID 26713373

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 60525436) is 4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(c3nc(C)no3)CC2)c1.
What is the InChIKey of 4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is JQHPOPIJVCAAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O4S/c1-4-24(5-2)29(26,27)15-6-7-17(20)16(12-15)19(25)23-10-8-14(9-11-23)18-21-13(3)22-28-18/h6-7,12,14H,4-5,8-11H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide?
4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 440.95 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 60525436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).