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1157089-00-3 | 3-cyano-N-(1H-pyrazol-4-yl)benzene-1-sulfonamide
CAS No: 1157089-00-3 Catalog No: AG01AI75 MDL No:MFCD12428898
Product Description
Catalog Number:
AG01AI75
Chemical Name:
3-cyano-N-(1H-pyrazol-4-yl)benzene-1-sulfonamide
CAS Number:
1157089-00-3
Molecular Formula:
C10H8N4O2S
Molecular Weight:
248.2611
MDL Number:
MFCD12428898
IUPAC Name:
3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
InChI:
InChI=1S/C10H8N4O2S/c11-5-8-2-1-3-10(4-8)17(15,16)14-9-6-12-13-7-9/h1-4,6-7,14H,(H,12,13)
InChI Key:
LWQORVBOQCKBGK-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)Nc1c[nH]nc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.26g/mol
Monoisotopic Mass:
248.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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