1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide

C16H25ClN2O2S — CID 16887590

IUPAC1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2O2S/c1-13(2)19-9-7-14(8-10-19)11-18-22(20,21)12-15-3-5-16(17)6-4-15/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyVOOHMIPXSGUPMM-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.88
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide (PubChem CID 16887590) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide
PubChem CID16887590
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2O2S/c1-13(2)19-9-7-14(8-10-19)11-18-22(20,21)12-15-3-5-16(17)6-4-15/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyVOOHMIPXSGUPMM-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide (CID 16887590) is 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide is CC(C)N1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The InChIKey is VOOHMIPXSGUPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2S/c1-13(2)19-9-7-14(8-10-19)11-18-22(20,21)12-15-3-5-16(17)6-4-15/h3-6,13-14,18H,7-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide has a molecular weight of 344.91 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 16887590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).