2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide

C12H18FN3O2S — CID 70908253

IUPAC2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN2CCCCC2)cc1CF
InChIInChI=1S/C12H18FN3O2S/c13-9-10-8-11(4-5-12(10)19(14,17)18)15-16-6-2-1-3-7-16/h4-5,8,15H,1-3,6-7,9H2,(H2,14,17,18)
InChIKeyUHTRXQZSVQLLAG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.62
Rot. Bonds4

About 2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide

2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide (PubChem CID 70908253) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide
PubChem CID70908253
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN2CCCCC2)cc1CF
InChIInChI=1S/C12H18FN3O2S/c13-9-10-8-11(4-5-12(10)19(14,17)18)15-16-6-2-1-3-7-16/h4-5,8,15H,1-3,6-7,9H2,(H2,14,17,18)
InChIKeyUHTRXQZSVQLLAG-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide?
The IUPAC name of 2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide (CID 70908253) is 2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide?
The canonical SMILES for 2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NN2CCCCC2)cc1CF.
What is the InChIKey of 2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide?
The InChIKey is UHTRXQZSVQLLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c13-9-10-8-11(4-5-12(10)19(14,17)18)15-16-6-2-1-3-7-16/h4-5,8,15H,1-3,6-7,9H2,(H2,14,17,18).
What are the key properties of 2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide?
2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide is sourced from PubChem (CID 70908253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).