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Chemical ID: 6447068
Chemical ID:
6447068
Name [?]:
N-benzyl-2-(4-fluorophenyl)sulfonylamino-N-methyl-acetamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C16H17FN2O3S/c1-19(12-13-5-3-2-4-6-13)16(20)11-18-23(21,22)15-9-7-14(17)8-10-15/h2-10,18H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,9,19,21,18,22,12,3,4,20,17,10,23,13,2,11,15,16,14/E:(3,4)(5,6)(7,8)(9,10)(21,22)/CRV:23.6/rA:23nCNCCCCCCCCOCNSOOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17FN2O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83986 |
Area: | 529.057 |
Solvation: | -4.38658 |
Coulombic: | -32.7523 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 336.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.06 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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