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Home > Sulfanilamide > 1164473-10-2
1164473-10-2 | (E)-2-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethene-1-sulfonamide
CAS No: 1164473-10-2 Catalog No: AG00IVLD MDL No:MFCD01815143
Product Description
Catalog Number:
AG00IVLD
Chemical Name:
(E)-2-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethene-1-sulfonamide
CAS Number:
1164473-10-2
Molecular Formula:
C17H17NO4S
Molecular Weight:
331.3862
MDL Number:
MFCD01815143
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethenesulfonamide
InChI:
InChI=1S/C17H17NO4S/c1-13-2-4-15(5-3-13)11-18-23(19,20)9-8-14-6-7-16-17(10-14)22-12-21-16/h2-10,18H,11-12H2,1H3
InChI Key:
DJYGYJZNSZPICF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CNS(=O)(=O)/C=C/c1ccc2c(c1)OCO2
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.386g/mol
Monoisotopic Mass:
331.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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