Chemical ID: 7255607

Cc1ccc(cc1S(=O)(=O)Nc2cccc(c2)S(=O)(=O)N)C(C)(C)C
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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Descriptor Annotations

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