1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide

C12H16Cl2N2O2S — CID 124625914

IUPAC1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)N[C@H]1CCCNC1
InChIInChI=1S/C12H16Cl2N2O2S/c13-11-4-1-5-12(14)10(11)8-19(17,18)16-9-3-2-6-15-7-9/h1,4-5,9,15-16H,2-3,6-8H2/t9-/m0/s1
InChIKeyNLQWBFPRDZAGMQ-VIFPVBQESA-N
MW323.25 g/mol
LogP2.16
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide

1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide (PubChem CID 124625914) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide
PubChem CID124625914
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)N[C@H]1CCCNC1
InChIInChI=1S/C12H16Cl2N2O2S/c13-11-4-1-5-12(14)10(11)8-19(17,18)16-9-3-2-6-15-7-9/h1,4-5,9,15-16H,2-3,6-8H2/t9-/m0/s1
InChIKeyNLQWBFPRDZAGMQ-VIFPVBQESA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide (CID 124625914) is 1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide is O=S(=O)(Cc1c(Cl)cccc1Cl)N[C@H]1CCCNC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide?
The InChIKey is NLQWBFPRDZAGMQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c13-11-4-1-5-12(14)10(11)8-19(17,18)16-9-3-2-6-15-7-9/h1,4-5,9,15-16H,2-3,6-8H2/t9-/m0/s1.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide?
1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide has a molecular weight of 323.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 124625914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).