Profluazol

CAT: 0926-QHA31443-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-QHA31443-02Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

190314-43-3

Smiles

C1C (CN2C1C (=O) N (C2=O) C3=C (C=C (C (=C3) NS (=O) (=O) CCl) Cl) F) F

Molecular Formula

C13H11Cl2F2N3O4S

Molecular Weight

414.2 g/mol

Controlled

Chemical Information

Profluazol

CAS Number	190314-43-3
PubChem CID	11037075
IUPAC Name	N-[5-[(6S,7aR)-6-fluoro-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-4-fluorophenyl]-1-chloromethanesulfonamide
Molecular Formula	C13H11Cl2F2N3O4S
Molecular Weight	414.2
XLogP	1.8
Topological Polar Surface Area	95.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	677

SMILES

C1[C@@H](CN2[C@H]1C(=O)N(C2=O)C3=C(C=C(C(=C3)NS(=O)(=O)CCl)Cl)F)F

InChI

InChI=1S/C13H11Cl2F2N3O4S/c14-5-25(23,24)18-9-3-10(8(17)2-7(9)15)20-12(21)11-1-6(16)4-19(11)13(20)22/h2-3,6,11,18H,1,4-5H2/t6-,11+/m0/s1

InChIKey

CHEDHKBPPDKBQF-UPONEAKYSA-N

Chemical Structure

2D Structure

CAS: 190314-43-3

CID: 11037075

Formula: C13H11Cl2F2N3O4S

MW: 414.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	414.2
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	412.9815387
Monoisotopic Mass	412.9815387
Topological Polar Surface Area	95.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	677
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes