DHX9-IN-2

CAT: 0607-BA3973-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3973-5Size:5 mg

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

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CAS Number

2973395-71-8

Form

A solid

Molecular Formula

C18H16ClN3O3S2

Molecular Weight

421.92

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Dhx9-IN-2

CAS Number	2973395-71-8
PubChem CID	169144997
IUPAC Name	N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
Molecular Formula	C18H16ClN3O3S2
Molecular Weight	421.9
XLogP	3.3
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	628

SMILES

CC1=C(N=CC=C1)C2=CSC(=C2)C(=O)NC3=CC(=CC(=C3)Cl)NS(=O)(=O)C

InChI

InChI=1S/C18H16ClN3O3S2/c1-11-4-3-5-20-17(11)12-6-16(26-10-12)18(23)21-14-7-13(19)8-15(9-14)22-27(2,24)25/h3-10,22H,1-2H3,(H,21,23)

InChIKey

VDGNPEFFHQRGOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2973395-71-8

CID: 169144997

Formula: C18H16ClN3O3S2

MW: 421.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	421.9
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	421.0321614
Monoisotopic Mass	421.0321614
Topological Polar Surface Area	125 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	628
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