(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone

C14H18ClNO3S — CID 26773669

IUPAC(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H18ClNO3S/c1-10-5-7-16(8-6-10)14(17)11-3-4-12(15)13(9-11)20(2,18)19/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZMJAYPJTNCKKKI-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.62
Rot. Bonds2

About (4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone

(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 26773669) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is (4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID26773669
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H18ClNO3S/c1-10-5-7-16(8-6-10)14(17)11-3-4-12(15)13(9-11)20(2,18)19/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZMJAYPJTNCKKKI-UHFFFAOYSA-N
XLogP2.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide
CID 31307506
(4-chloro-3-methylsulfonylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029528
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
(4-chloro-3-methylsulfonylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777646
2-[1-(4-chloro-3-methylsulfonylbenzoyl)azetidin-3-yl]acetic acid
CID 64603749
(4-chloro-3-methylsulfonylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877222
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734210
[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 17466177
4-chloro-3-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 6952489
2-chloro-5-(3,4-dimethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 79187613
(4-chloro-3-methylsulfonylphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone
CID 51855686
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 26773669) is (4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1.
What is the InChIKey of (4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ZMJAYPJTNCKKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-10-5-7-16(8-6-10)14(17)11-3-4-12(15)13(9-11)20(2,18)19/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone?
(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 315.82 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 26773669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).