Chemical ID: 6441205

Cc1ccc(c(c1)S(=O)(=O)Nc2cc(cc(c2C)C)NS(=O)(=O)c3cc(ccc3C)N)N
Chemical ID:
6441205
Name [?]:
2-amino-N-[5-(5-amino-2-methyl-phenyl)sulfonylamino-2,3-dimethyl-phenyl]-5-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)Nc2cc(cc(c2C)C)NS(=O)(=O)c3cc(ccc3C)N)N
InChi [?]:
InChI=1/C22H26N4O4S2/c1-13-5-8-19(24)22(9-13)32(29,30)26-20-12-18(10-15(3)16(20)4)25-31(27,28)21-11-17(23)7-6-14(21)2/h5-12,25-26H,23-24H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,19,18,3,28,27,4,7,15,25,13,2,29,16,17,26,14,5,12,24,6,31,32,20,11,22,23,9,10,21,8/E:(27,28)(29,30)/CRV:31.6,32.6/rA:32nCCCCCCCSOONCCCCCCCCNSOOCCCCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s16;s14;s20;d21;d21;s21;s24;d25;s26;d27;d24s28;s29;s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N4O4S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.8484
Area:611.319
Solvation:-3.43455
Coulombic:-57.1772
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:2.9
LogP (Chemaxon):4.12

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Descriptor Annotations

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