NP3-146

CAT: 0127-BUP05546-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05546-01Size:5 mg

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CAS Number

210826-47-4

Synonyms

NLRP3-IN-5

Purity

=98%

Smiles

O=C(NC=1C(=CC(Cl)=CC1C(C)C)C(C)C)NS(=O)(=O)C=2OC=C(C2)C(O)(C)C

Chemical Information

Nlrp3-IN-5

CAS Number	210826-47-4
PubChem CID	10195003
IUPAC Name	1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
Molecular Formula	C20H27ClN2O5S
Molecular Weight	443.0
XLogP	4.6
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	659

SMILES

CC(C)C1=CC(=CC(=C1NC(=O)NS(=O)(=O)C2=CC(=CO2)C(C)(C)O)C(C)C)Cl

InChI

InChI=1S/C20H27ClN2O5S/c1-11(2)15-8-14(21)9-16(12(3)4)18(15)22-19(24)23-29(26,27)17-7-13(10-28-17)20(5,6)25/h7-12,25H,1-6H3,(H2,22,23,24)

InChIKey

RTJGVFANTDWUEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 210826-47-4

CID: 10195003

Formula: C20H27ClN2O5S

MW: 443.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	443.0
XLogP3	4.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	442.1329208
Monoisotopic Mass	442.1329208
Topological Polar Surface Area	117 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	659
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-145087	NP3-146
T200987-01	NP3-146 sodium
HY-145087A-01	NP3-146 (sodium)
HY-163159-01	NP3-562
GTR19241062-01	NP3-253
HY-179024	NP3-742
553228	SARS-CoV-2-NP3
E10-31928P	SARS-Cov2-NP3 Antibody
MBS8596571-01	Mouse Monoclonal Antibody to SARS-Cov2-NP3
T8685-01	SP-146