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1417793-95-3 | Benzenesulfonamide, 2,3-dichloro-N-cyclopropyl-N-(3-piperidinylmethyl)-, hydrochloride (1:1)
CAS No: 1417793-95-3 Catalog No: AG001H4I MDL No:
Product Description
Catalog Number:
AG001H4I
Chemical Name:
Benzenesulfonamide, 2,3-dichloro-N-cyclopropyl-N-(3-piperidinylmethyl)-, hydrochloride (1:1)
CAS Number:
1417793-95-3
Molecular Formula:
C15H21Cl3N2O2S
Molecular Weight:
399.7634
IUPAC Name:
2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
InChI:
InChI=1S/C15H20Cl2N2O2S.ClH/c16-13-4-1-5-14(15(13)17)22(20,21)19(12-6-7-12)10-11-3-2-8-18-9-11;/h1,4-5,11-12,18H,2-3,6-10H2;1H
InChI Key:
QMLIZLPKQGGQIE-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1Cl)S(=O)(=O)N(C1CC1)CC1CCCNC1.Cl
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.039g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.755g/mol
Monoisotopic Mass:
398.039g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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