Chemical ID: 4274860

Cc1ccc(cc1S(=O)(=O)Nc2cc(c(c(c2)NS(=O)(=O)c3cc(ccc3C)N)C)C)N
Chemical ID:
4274860
Name [?]:
5-amino-N-[3-(5-amino-2-methyl-phenyl)sulfonylamino-4,5-dimethyl-phenyl]-2-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)Nc2cc(c(c(c2)NS(=O)(=O)c3cc(ccc3C)N)C)C)N
InChi [?]:
InChI=1/C22H26N4O4S2/c1-13-5-7-17(23)10-21(13)31(27,28)25-19-9-15(3)16(4)20(12-19)26-32(29,30)22-11-18(24)8-6-14(22)2/h5-12,25-26H,23-24H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,31,30,3,26,4,25,13,6,23,17,2,27,14,15,5,24,12,16,7,22,32,29,11,18,9,10,20,21,8,19/E:(27,28)(29,30)/CRV:31.6,32.6/rA:32nCCCCCCCSOONCCCCCCNSOOCCCCCCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s27;s24;s15;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N4O4S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.7474
Area:606.722
Solvation:-3.42067
Coulombic:-56.6059
Bond Count [?]
All:34
Single:21
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:474.598
H-Bond Donors:6
H-Bond Acceptors:8
XLogP:1.62
LogP (Chemaxon):3.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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