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383147-75-9 | N-(4-ethynylphenyl)benzenesulfonamide
CAS No: 383147-75-9 Catalog No: AG00IO3R MDL No:MFCD03012024
Product Description
Catalog Number:
AG00IO3R
Chemical Name:
N-(4-ethynylphenyl)benzenesulfonamide
CAS Number:
383147-75-9
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
MDL Number:
MFCD03012024
IUPAC Name:
N-(4-ethynylphenyl)benzenesulfonamide
InChI:
InChI=1S/C14H11NO2S/c1-2-12-8-10-13(11-9-12)15-18(16,17)14-6-4-3-5-7-14/h1,3-11,15H
InChI Key:
VVWSLOVTMNCKFR-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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