1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine

C13H18ClNO4S2 — CID 35295703

IUPAC1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C13H18ClNO4S2/c1-10-5-7-15(8-6-10)21(18,19)13-9-11(20(2,16)17)3-4-12(13)14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRHCAPZKTCVWBPX-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.16
Rot. Bonds3

About 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine

1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine (PubChem CID 35295703) has the molecular formula C13H18ClNO4S2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine
PubChem CID35295703
Molecular FormulaC13H18ClNO4S2
Molecular Weight351.88 g/mol
Exact Mass351.04
IUPAC Name1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1
InChIInChI=1S/C13H18ClNO4S2/c1-10-5-7-15(8-6-10)21(18,19)13-9-11(20(2,16)17)3-4-12(13)14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRHCAPZKTCVWBPX-UHFFFAOYSA-N
XLogP2.16
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine
CID 35289014
1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-3-methylpiperazine
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4-chloro-3-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 6952489
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
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4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770
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1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1-(2-bromo-4-methylsulfonylphenyl)sulfonylpiperidin-4-amine
CID 120998706
1-[2-chloro-5-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine
CID 1101755
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
1-[4-(2-chloro-5-methylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 56513769
1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-2-(3,5-dimethylphenyl)pyrrolidine
CID 86952181

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine (CID 35295703) is 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine?
The InChIKey is RHCAPZKTCVWBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S2/c1-10-5-7-15(8-6-10)21(18,19)13-9-11(20(2,16)17)3-4-12(13)14/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine?
1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine has a molecular weight of 351.88 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 35295703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).