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88241-94-5 | Benzoic acid,4-[[[(butylamino)carbonyl]amino]sulfonyl]-, methyl ester
CAS No: 88241-94-5 Catalog No: AG004CUD MDL No:
Product Description
Catalog Number:
AG004CUD
Chemical Name:
Benzoic acid,4-[[[(butylamino)carbonyl]amino]sulfonyl]-, methyl ester
CAS Number:
88241-94-5
Molecular Formula:
C13H18N2O5S
Molecular Weight:
314.3574
IUPAC Name:
methyl 4-(butylcarbamoylsulfamoyl)benzoate
InChI:
InChI=1S/C13H18N2O5S/c1-3-4-9-14-13(17)15-21(18,19)11-7-5-10(6-8-11)12(16)20-2/h5-8H,3-4,9H2,1-2H3,(H2,14,15,17)
InChI Key:
ZLNXHCAHLBRDBT-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C(=O)OC
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.356g/mol
Monoisotopic Mass:
314.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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