Chemical ID: 7272010

CC(=O)c1cccc(c1)S(=O)(=O)NCc2ccc(cc2)F
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

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Descriptor Annotations

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