Chemical ID: 4908386

Cc1cc(sn1)NS(=O)(=O)c2ccc(cc2)N
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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