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

C16H18ClFN4O2S — CID 71786426

IUPAC3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H18ClFN4O2S/c17-14-9-13(1-2-15(14)18)25(23,24)21-10-12-3-7-22(8-4-12)16-11-19-5-6-20-16/h1-2,5-6,9,11-12,21H,3-4,7-8,10H2
InChIKeyRADHFCYTQIIWPN-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.46
Rot. Bonds5

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

3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 71786426) has the molecular formula C16H18ClFN4O2S and a molecular weight of 384.86 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID71786426
Molecular FormulaC16H18ClFN4O2S
Molecular Weight384.86 g/mol
Exact Mass384.08
IUPAC Name3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H18ClFN4O2S/c17-14-9-13(1-2-15(14)18)25(23,24)21-10-12-3-7-22(8-4-12)16-11-19-5-6-20-16/h1-2,5-6,9,11-12,21H,3-4,7-8,10H2
InChIKeyRADHFCYTQIIWPN-UHFFFAOYSA-N
XLogP2.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 71786426) is 3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is RADHFCYTQIIWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O2S/c17-14-9-13(1-2-15(14)18)25(23,24)21-10-12-3-7-22(8-4-12)16-11-19-5-6-20-16/h1-2,5-6,9,11-12,21H,3-4,7-8,10H2.
What are the key properties of 3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 384.86 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71786426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).