1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine

C16H20ClN3O2S — CID 71781203

IUPAC1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C16H20ClN3O2S/c1-13-15(17)4-2-5-16(13)23(21,22)20-10-6-14(7-11-20)12-19-9-3-8-18-19/h2-5,8-9,14H,6-7,10-12H2,1H3
InChIKeyMOMFHRPZNIPUAI-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine

1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine (PubChem CID 71781203) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
PubChem CID71781203
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C16H20ClN3O2S/c1-13-15(17)4-2-5-16(13)23(21,22)20-10-6-14(7-11-20)12-19-9-3-8-18-19/h2-5,8-9,14H,6-7,10-12H2,1H3
InChIKeyMOMFHRPZNIPUAI-UHFFFAOYSA-N
XLogP2.95
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 6465363
CID 6465363
CID 6467892
CID 6467892
CID 2808894
CID 2808894
CID 6468378
CID 6468378
CID 6466144
CID 6466144
CID 19577768
CID 19577768
CID 56805672
CID 56805672
CID 71783854
CID 71783854
CID 71783873
CID 71783873
CID 71797595
CID 71797595
CID 71807969
CID 71807969
CID 86266980
CID 86266980

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine (CID 71781203) is 1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine is Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is MOMFHRPZNIPUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-13-15(17)4-2-5-16(13)23(21,22)20-10-6-14(7-11-20)12-19-9-3-8-18-19/h2-5,8-9,14H,6-7,10-12H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 353.88 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 71781203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).