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114149-60-9 | 1H-Indene-5-acetic acid, 2-[[(4-chlorophenyl)sulfonyl]amino]-2,3-dihydro-
CAS No: 114149-60-9 Catalog No: AG000AOE MDL No:
Product Description
Catalog Number:
AG000AOE
Chemical Name:
1H-Indene-5-acetic acid, 2-[[(4-chlorophenyl)sulfonyl]amino]-2,3-dihydro-
CAS Number:
114149-60-9
Molecular Formula:
C17H16ClNO4S
Molecular Weight:
365.8312
IUPAC Name:
2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid
InChI:
InChI=1S/C17H16ClNO4S/c18-14-3-5-16(6-4-14)24(22,23)19-15-9-12-2-1-11(8-17(20)21)7-13(12)10-15/h1-7,15,19H,8-10H2,(H,20,21)
InChI Key:
HOLKFWCVMQYHCW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)CC(C2)NS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.828g/mol
Monoisotopic Mass:
365.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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