4-[4-Amino-5-(2,3-difluoro-6-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-sulfonic acid amide

HCID 10072033
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(N)(=O)=O)CC2)nc1N
InChIKey
IUIYCVSWFWKFOP-UHFFFAOYSA-N
Molecular formula
C17H20F2N6O4S
Average molar mass
442.4 g/mol

Names & identifiers

Preferred name
4-[4-Amino-5-(2,3-difluoro-6-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-sulfonic acid amide
IUPAC
4-[[4-amino-5-(2,3-difluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide

Names & synonyms

SCHEMBL3522463IUIYCVSWFWKFOP-UHFFFAOYSA-N4-[4-Amino-5-(2,3-difluoro-6-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-sulfonic acid amide

Database identifiers

PubChem CID
10072033

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
162 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
12
Rotatable bonds
6
Heavy atoms
30

Related reactions

6 records
New reaction record

Compound notes

Loading…