[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone

C19H28ClN3O3S — CID 28591390

IUPAC[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)CC1
InChIInChI=1S/C19H28ClN3O3S/c1-3-21-10-12-22(13-11-21)19(24)17-14-16(4-5-18(17)20)27(25,26)23-8-6-15(2)7-9-23/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeySSFYLIKZVWSVBA-UHFFFAOYSA-N
MW413.97 g/mol
LogP2.54
Rot. Bonds4

About [2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone

[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 28591390) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is [2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID28591390
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC Name[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)CC1
InChIInChI=1S/C19H28ClN3O3S/c1-3-21-10-12-22(13-11-21)19(24)17-14-16(4-5-18(17)20)27(25,26)23-8-6-15(2)7-9-23/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeySSFYLIKZVWSVBA-UHFFFAOYSA-N
XLogP2.54
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 42919907
[2-chloro-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 30961290
(4-benzylpiperazin-1-yl)-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 28591235
[2-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 9441168
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
CID 134016872
4-chloro-3-(4-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397242
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 78802539
N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24540046
(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769687
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone (CID 28591390) is [2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)CC1.
What is the InChIKey of [2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is SSFYLIKZVWSVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3S/c1-3-21-10-12-22(13-11-21)19(24)17-14-16(4-5-18(17)20)27(25,26)23-8-6-15(2)7-9-23/h4-5,14-15H,3,6-13H2,1-2H3.
What are the key properties of [2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone?
[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 413.97 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 28591390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).