Chemical ID: 4078796

c1cc(cc(c1)S(=O)(=O)NCc2ccc(c(c2)F)F)C#N
Chemical ID:
4078796
Name [?]:
3-cyano-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NCc2ccc(c(c2)F)F)C#N
InChi [?]:
InChI=1/C14H10F2N2O2S/c15-13-5-4-11(7-14(13)16)9-18-21(19,20)12-3-1-2-10(6-12)8-17/h1-7,18H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,4,17,20,11,3,12,5,15,16,19,18,21,10,8,9,7/E:(19,20)/CRV:21.6/rA:21nCCCCCCSOONCCCCCCCFFCN/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;s3;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10F2N2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.63245
Area:486.585
Solvation:-4.53217
Coulombic:-23.063
Bond Count [?]
All:22
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.304
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.63
LogP (Chemaxon):2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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