1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine

C16H20ClN3O3S — CID 121188731

IUPAC1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1Cl
InChIInChI=1S/C16H20ClN3O3S/c1-19-9-7-15(18-19)12-4-3-8-20(11-12)24(21,22)13-5-6-16(23-2)14(17)10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3
InChIKeyNAKBXVLHAGUZMW-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.65
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine

1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine (PubChem CID 121188731) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
PubChem CID121188731
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC Name1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1Cl
InChIInChI=1S/C16H20ClN3O3S/c1-19-9-7-15(18-19)12-4-3-8-20(11-12)24(21,22)13-5-6-16(23-2)14(17)10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3
InChIKeyNAKBXVLHAGUZMW-UHFFFAOYSA-N
XLogP2.65
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 129357707
1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 129357113
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 126395426
[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 7368559
[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 2983595
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 3969532
(3R)-N-tert-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302661
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 41302656
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126398535
1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide
CID 126397233

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine (CID 121188731) is 1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine is COc1ccc(S(=O)(=O)N2CCCC(c3ccn(C)n3)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The InChIKey is NAKBXVLHAGUZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c1-19-9-7-15(18-19)12-4-3-8-20(11-12)24(21,22)13-5-6-16(23-2)14(17)10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine has a molecular weight of 369.87 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 121188731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).