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Chemical ID: 4908386
Chemical ID:
4908386
Name [?]:
4-amino-N-(3-methylisothiazol-5-yl)-benzenesulfonamide
SMILES [?]:
Cc1cc(sn1)NS(=O)(=O)c2ccc(cc2)N
InChi [?]:
InChI=1/C10H11N3O2S2/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,15,12,16,3,2,14,11,4,17,6,7,9,10,5,8/E:(2,3)(4,5)(14,15)/CRV:17.6/rA:17nCCCCSNNSOOCCCCCCN/rB:s1;s2;d3;s4;d2s5;s4;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N3O2S2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85944 |
Area: | 415.881 |
Solvation: | -2.5376 |
Coulombic: | -30.6175 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 269.345 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.51 |
LogP (Chemaxon): | -0.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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