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571153-14-5

571153-14-5 | N,N-diethyl-3-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)benzene-1-sulfonamide

CAS No: 571153-14-5 Catalog No: AG019I2E MDL No:MFCD03984476

Product Description

Catalog Number:
AG019I2E
Chemical Name:
N,N-diethyl-3-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)benzene-1-sulfonamide
CAS Number:
571153-14-5
Molecular Formula:
C13H18N4O2S2
Molecular Weight:
326.4376
MDL Number:
MFCD03984476
IUPAC Name:
N,N-diethyl-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenesulfonamide
InChI:
InChI=1S/C13H18N4O2S2/c1-4-17(5-2)21(18,19)11-8-6-7-10(9-11)12-14-15-13(20)16(12)3/h6-9H,4-5H2,1-3H3,(H,15,20)
InChI Key:
PZJDIELBRRRAGY-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cccc(c1)c1nnc(n1C)S)CC

Properties

Complexity:
523  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.087g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.433g/mol
Monoisotopic Mass:
326.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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