RN-1734

CAT: 0127-BUP15654-05Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15654-05Size:200 mg

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CAS Number

946387-07-1

Purity

=98%

Smiles

S(N(CCNC(C)C)C(C)C)(=O)(=O)C1=C(Cl)C=C(Cl)C=C1

Chemical Information

RN1734

a TRPV4 antagonist; structure in first source

CAS Number	946387-07-1
PubChem CID	3601086
IUPAC Name	2,4-dichloro-N-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
Molecular Formula	C14H22Cl2N2O2S
Molecular Weight	353.3
XLogP	3.5
Topological Polar Surface Area	57.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	21
Formal Charge	0
Complexity	410

SMILES

CC(C)NCCN(C(C)C)S(=O)(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3

InChIKey

IHYZMEAZAIFMTN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 946387-07-1

CID: 3601086

Formula: C14H22Cl2N2O2S

MW: 353.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.3
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	352.0779045
Monoisotopic Mass	352.0779045
Topological Polar Surface Area	57.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	410
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