(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine

C12H16ClNO2S — CID 668791

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S/c1-10-4-2-3-9-14(10)17(15,16)12-7-5-11(13)6-8-12/h5-8,10H,2-4,9H2,1H3/t10-/m0/s1
InChIKeyMEPGZXMSAHELSU-JTQLQIEISA-N
MW273.78 g/mol
LogP2.90
Rot. Bonds2

About (2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine

(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine (PubChem CID 668791) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
PubChem CID668791
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S/c1-10-4-2-3-9-14(10)17(15,16)12-7-5-11(13)6-8-12/h5-8,10H,2-4,9H2,1H3/t10-/m0/s1
InChIKeyMEPGZXMSAHELSU-JTQLQIEISA-N
XLogP2.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
CID 70332287
(2S)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 779289
2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43107737
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylazepane
CID 106612325

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine (CID 668791) is (2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine is C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine?
The InChIKey is MEPGZXMSAHELSU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-10-4-2-3-9-14(10)17(15,16)12-7-5-11(13)6-8-12/h5-8,10H,2-4,9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine?
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine has a molecular weight of 273.78 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 668791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).