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Chemical ID: 7272010
Chemical ID:
7272010
Name [?]:
3-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILES [?]:
CC(=O)c1cccc(c1)S(=O)(=O)NCc2ccc(cc2)F
InChi [?]:
InChI=1/C15H14FNO3S/c1-11(18)13-3-2-4-15(9-13)21(19,20)17-10-12-5-7-14(16)8-6-12/h2-9,17H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,16,20,17,19,9,14,2,15,4,18,8,21,13,3,11,12,10/E:(5,6)(7,8)(19,20)/CRV:21.6/rA:21nCCOCCCCCCSOONCCCCCCCF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;d10;d10;s10;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO3S |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13866 |
Area: | 492.539 |
Solvation: | -4.17482 |
Coulombic: | -24.0078 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 307.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.58 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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