Chemical ID: 6447068

CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c2ccc(cc2)F
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

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Experimental Annotations

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Descriptor Annotations

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