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866156-45-8 | N-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]benzenesulfonamide
CAS No: 866156-45-8 Catalog No: AG00IZV7 MDL No:MFCD05669877
Product Description
Catalog Number:
AG00IZV7
Chemical Name:
N-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]benzenesulfonamide
CAS Number:
866156-45-8
Molecular Formula:
C18H18N2O2S
Molecular Weight:
326.4127
MDL Number:
MFCD05669877
IUPAC Name:
N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C18H18N2O2S/c1-14-8-9-15(2)20(14)17-12-10-16(11-13-17)19-23(21,22)18-6-4-3-5-7-18/h3-13,19H,1-2H3
InChI Key:
HTJWQGQONIJPCB-UHFFFAOYSA-N
SMILES:
Cc1ccc(n1c1ccc(cc1)NS(=O)(=O)c1ccccc1)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.414g/mol
Monoisotopic Mass:
326.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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