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Chemical ID: 7255607
Chemical ID:
7255607
Name [?]:
2-methyl-N-(3-sulfamoylphenyl)-5-tert-butyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)Nc2cccc(c2)S(=O)(=O)N)C(C)(C)C
InChi [?]:
InChI=1/C17H22N2O4S2/c1-12-8-9-13(17(2,3)4)10-16(12)25(22,23)19-14-6-5-7-15(11-14)24(18,20)21/h5-11,19H,1-4H3,(H2,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,14,13,15,3,4,6,17,2,5,12,16,7,22,21,11,19,20,9,10,18,8/E:(2,3,4)(20,21)(22,23)/CRV:24.6,25.6/rA:25nCCCCCCCSOONCCCCCCSOONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s5;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O4S2 |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7762 |
Area: | 551.923 |
Solvation: | -3.02191 |
Coulombic: | -29.4835 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 382.5 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.22 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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