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Home > Nitro Compounds > 1233958-29-6
1233958-29-6 | 4-Nitro-N-(piperidin-4-yl)benzenesulfonamide hydrochloride
CAS No: 1233958-29-6 Catalog No: AG01F70Q MDL No:
Product Description
Catalog Number:
AG01F70Q
Chemical Name:
4-Nitro-N-(piperidin-4-yl)benzenesulfonamide hydrochloride
CAS Number:
1233958-29-6
Molecular Formula:
C11H16ClN3O4S
Molecular Weight:
321.7804
IUPAC Name:
4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
InChI:
InChI=1S/C11H15N3O4S.ClH/c15-14(16)10-1-3-11(4-2-10)19(17,18)13-9-5-7-12-8-6-9;/h1-4,9,12-13H,5-8H2;1H
InChI Key:
NVDGYSCHKOLJRI-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)[N+](=O)[O-])NC1CCNCC1.Cl
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
321.776g/mol
Monoisotopic Mass:
321.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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