Chemical ID: 4399932

COc1ccc(cc1OC)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(cc3)F
Chemical ID:
4399932
Name [?]:
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxy-benzenesulfonamide
SMILES [?]:
COc1ccc(cc1OC)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C20H19FN2O6S2/c1-28-19-12-11-18(13-20(19)29-2)31(26,27)23-16-7-9-17(10-8-16)30(24,25)22-15-5-3-14(21)4-6-15/h3-13,22-23H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,27,29,26,30,16,20,17,19,5,4,7,28,25,15,18,6,3,8,31,24,14,22,23,12,13,2,9,21,11/E:(3,4)(5,6)(7,8)(9,10)(24,25)(26,27)/CRV:30.6,31.6/rA:31nCOCCCCCCOCSOONCCCCCCSOONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s18;d21;d21;s21;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19FN2O6S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:7.84756
Area:618.063
Solvation:-7.60402
Coulombic:-40.279
Bond Count [?]
All:33
Single:20
Double:13
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:466.505
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.13
LogP (Chemaxon):2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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