4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C16H25FN2O2S — CID 16887557

IUPAC4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCN(C(C)C)CC2)ccc1F
InChIInChI=1S/C16H25FN2O2S/c1-12(2)19-8-6-14(7-9-19)11-18-22(20,21)15-4-5-16(17)13(3)10-15/h4-5,10,12,14,18H,6-9,11H2,1-3H3
InChIKeyKEWAFTRKFJJLBG-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.53
Rot. Bonds5

About 4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887557) has the molecular formula C16H25FN2O2S and a molecular weight of 328.45 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887557
Molecular FormulaC16H25FN2O2S
Molecular Weight328.45 g/mol
Exact Mass328.16
IUPAC Name4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCN(C(C)C)CC2)ccc1F
InChIInChI=1S/C16H25FN2O2S/c1-12(2)19-8-6-14(7-9-19)11-18-22(20,21)15-4-5-16(17)13(3)10-15/h4-5,10,12,14,18H,6-9,11H2,1-3H3
InChIKeyKEWAFTRKFJJLBG-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887557) is 4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCC2CCN(C(C)C)CC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is KEWAFTRKFJJLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2S/c1-12(2)19-8-6-14(7-9-19)11-18-22(20,21)15-4-5-16(17)13(3)10-15/h4-5,10,12,14,18H,6-9,11H2,1-3H3.
What are the key properties of 4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 328.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).