BMS 182874

CAT: 0127-BUP11645-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11645-02Size:10 mg

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

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CAS Number

153042-42-3

Synonyms

BMS182874, BMS-182874

Purity

=98%

Smiles

S(NC1=C(C)C(C)=NO1)(=O)(=O)C=2C3=C(C(N(C)C)=CC=C3)C=CC2

Chemical Information

Bms 182874

5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide is a member of naphthalenes and a sulfonic acid derivative.

CAS Number	153042-42-3
PubChem CID	122272
IUPAC Name	5-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
Molecular Formula	C17H19N3O3S
Molecular Weight	345.4
XLogP	3.4
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	534

SMILES

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3

InChIKey

MJRGSRRZKSJHOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153042-42-3

CID: 122272

Formula: C17H19N3O3S

MW: 345.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	345.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	345.11471265
Monoisotopic Mass	345.11471265
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	534
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