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Chemical ID: 5485882
Chemical ID:
5485882
Name [?]:
N-(4-methoxy-3-morpholinosulfonyl-phenyl)naphthalene-2-sulfonamide
SMILES [?]:
COc1ccc(cc1S(=O)(=O)N2CCOCC2)NS(=O)(=O)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C21H22N2O6S2/c1-28-20-9-7-18(15-21(20)31(26,27)23-10-12-29-13-11-23)22-30(24,25)19-8-6-16-4-2-3-5-17(16)14-19/h2-9,14-15,22H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,28,26,29,24,5,23,4,13,17,14,16,31,7,25,30,6,22,3,8,18,12,20,21,10,11,2,15,19,9/E:(10,11)(12,13)(24,25)(26,27)/CRV:30.6,31.6/rA:31nCOCCCCCCSOONCCOCCNSOOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d9;s9;s12;s13;s14;s15;s12s16;s6;s18;d19;d19;s19;s22;d23;s24;s25;d26;s27;d28;d25s29;d22s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O6S2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.13 |
Area: | 625.016 |
Solvation: | -5.4954 |
Coulombic: | -35.1219 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 462.541 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 2.58 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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