N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide

C18H27FN2O2S — CID 16887729

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)ccc1F
InChIInChI=1S/C18H27FN2O2S/c1-14-12-17(6-7-18(14)19)24(22,23)20-13-15-8-10-21(11-9-15)16-4-2-3-5-16/h6-7,12,15-16,20H,2-5,8-11,13H2,1H3
InChIKeyYATKTWXNMXBPMB-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.07
Rot. Bonds5

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 16887729) has the molecular formula C18H27FN2O2S and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID16887729
Molecular FormulaC18H27FN2O2S
Molecular Weight354.49 g/mol
Exact Mass354.18
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)ccc1F
InChIInChI=1S/C18H27FN2O2S/c1-14-12-17(6-7-18(14)19)24(22,23)20-13-15-8-10-21(11-9-15)16-4-2-3-5-16/h6-7,12,15-16,20H,2-5,8-11,13H2,1H3
InChIKeyYATKTWXNMXBPMB-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide (CID 16887729) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)ccc1F.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is YATKTWXNMXBPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2S/c1-14-12-17(6-7-18(14)19)24(22,23)20-13-15-8-10-21(11-9-15)16-4-2-3-5-16/h6-7,12,15-16,20H,2-5,8-11,13H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 354.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 16887729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).