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675602-60-5 | (S)-2-Nitro-N-(1-phenyl-2-(pyrrolidin-1-yl)ethyl)benzenesulfonamide
CAS No: 675602-60-5 Catalog No: AG005MMS MDL No:
Product Description
Catalog Number:
AG005MMS
Chemical Name:
(S)-2-Nitro-N-(1-phenyl-2-(pyrrolidin-1-yl)ethyl)benzenesulfonamide
CAS Number:
675602-60-5
Molecular Formula:
C18H21N3O4S
Molecular Weight:
375.4420
IUPAC Name:
2-nitro-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
InChI:
InChI=1S/C18H21N3O4S/c22-21(23)17-10-4-5-11-18(17)26(24,25)19-16(14-20-12-6-7-13-20)15-8-2-1-3-9-15/h1-5,8-11,16,19H,6-7,12-14H2/t16-/m1/s1
InChI Key:
PYNCWUSAPJIGMN-MRXNPFEDSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)N[C@@H](c1ccccc1)CN1CCCC1
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
375.125g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.443g/mol
Monoisotopic Mass:
375.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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