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439108-36-8 | 4-chloro-N-[2-(pyridin-3-yl)pyrimidin-4-yl]benzene-1-sulfonamide
CAS No: 439108-36-8 Catalog No: AG00IQ8M MDL No:MFCD02661729
Product Description
Catalog Number:
AG00IQ8M
Chemical Name:
4-chloro-N-[2-(pyridin-3-yl)pyrimidin-4-yl]benzene-1-sulfonamide
CAS Number:
439108-36-8
Molecular Formula:
C15H11ClN4O2S
Molecular Weight:
346.7914
MDL Number:
MFCD02661729
IUPAC Name:
4-chloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide
InChI:
InChI=1S/C15H11ClN4O2S/c16-12-3-5-13(6-4-12)23(21,22)20-14-7-9-18-15(19-14)11-2-1-8-17-10-11/h1-10H,(H,18,19,20)
InChI Key:
DJRZCXONCOIHBT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)Nc1ccnc(n1)c1cccnc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.029g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.789g/mol
Monoisotopic Mass:
346.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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