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Home > Sulfanilamide > 861210-21-1
861210-21-1 | N-({4-[4-(hydroxymethyl)piperidin-1-yl]phenyl}methyl)-4-methylbenzene-1-sulfonamide
CAS No: 861210-21-1 Catalog No: AG00ISF2 MDL No:MFCD03617966
Product Description
Catalog Number:
AG00ISF2
Chemical Name:
N-({4-[4-(hydroxymethyl)piperidin-1-yl]phenyl}methyl)-4-methylbenzene-1-sulfonamide
CAS Number:
861210-21-1
Molecular Formula:
C20H26N2O3S
Molecular Weight:
374.4970
MDL Number:
MFCD03617966
IUPAC Name:
N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C20H26N2O3S/c1-16-2-8-20(9-3-16)26(24,25)21-14-17-4-6-19(7-5-17)22-12-10-18(15-23)11-13-22/h2-9,18,21,23H,10-15H2,1H3
InChI Key:
PABCTOMGZLXKRI-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)c1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.166g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.499g/mol
Monoisotopic Mass:
374.166g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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