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Chemical ID: 6491129
Chemical ID:
6491129
Name [?]:
3-amino-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NCc2ccc(cc2)S(=O)(=O)N)N
InChi [?]:
InChI=1/C13H15N3O4S2/c14-11-2-1-3-13(8-11)22(19,20)16-9-10-4-6-12(7-5-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,17,14,16,4,11,12,3,15,5,22,21,10,19,20,8,9,18,7/E:(4,5)(6,7)(17,18)(19,20)/CRV:21.6,22.6/rA:22nCCCCCCSOONCCCCCCCSOONN/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;d18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N3O4S2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52396 |
Area: | 526.521 |
Solvation: | -3.63908 |
Coulombic: | -44.8266 |
Bond Count [?]
All: | 23 |
Single: | 13 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.408 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | 0.22 |
LogP (Chemaxon): | 0.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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