NCGC00378430

CAT: 0607-BA8097-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8097-5Size:5 mg

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CAS Number

920650-00-6

Form

A solid

Molecular Formula

C22H23N3O5S

Molecular Weight

441.50

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-(4-Methoxy-3-(morpholinosulfonyl)phenyl)-3-(1H-pyrrol-1-yl)benzamide

CAS Number	920650-00-6
PubChem CID	16361161
IUPAC Name	N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
Molecular Formula	C22H23N3O5S
Molecular Weight	441.5
XLogP	1.9
Topological Polar Surface Area	98.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	700

SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H23N3O5S/c1-29-20-8-7-18(16-21(20)31(27,28)25-11-13-30-14-12-25)23-22(26)17-5-4-6-19(15-17)24-9-2-3-10-24/h2-10,15-16H,11-14H2,1H3,(H,23,26)

InChIKey

IFXCVBOQNYHBMX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 920650-00-6

CID: 16361161

Formula: C22H23N3O5S

MW: 441.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	441.5
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	441.13584202
Monoisotopic Mass	441.13584202
Topological Polar Surface Area	98.3 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	700
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

Alternative Products

Catalog	Name
HY-138657-01	NCGC00378430

NCGC00378430

Chemical Information

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