1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine

C16H19ClN2O2S — CID 110721356

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCC(n2cccc2)CC1
InChIInChI=1S/C16H19ClN2O2S/c17-16-6-2-1-5-14(16)13-22(20,21)19-11-7-15(8-12-19)18-9-3-4-10-18/h1-6,9-10,15H,7-8,11-13H2
InChIKeyRBMBHLOIPHALRV-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.31
Rot. Bonds4

About 1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine

1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine (PubChem CID 110721356) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
PubChem CID110721356
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCC(n2cccc2)CC1
InChIInChI=1S/C16H19ClN2O2S/c17-16-6-2-1-5-14(16)13-22(20,21)19-11-7-15(8-12-19)18-9-3-4-10-18/h1-6,9-10,15H,7-8,11-13H2
InChIKeyRBMBHLOIPHALRV-UHFFFAOYSA-N
XLogP3.31
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 110394038
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
1-[(2-chlorophenyl)methylsulfonyl]-4-cyclobutyl-1,4-diazepane
CID 131702233
3-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]oxypropan-1-amine
CID 126807255
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate
CID 110823326
1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725891
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine (CID 110721356) is 1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine is O=S(=O)(Cc1ccccc1Cl)N1CCC(n2cccc2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine?
The InChIKey is RBMBHLOIPHALRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c17-16-6-2-1-5-14(16)13-22(20,21)19-11-7-15(8-12-19)18-9-3-4-10-18/h1-6,9-10,15H,7-8,11-13H2.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine?
1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine has a molecular weight of 338.86 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine is sourced from PubChem (CID 110721356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).