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Chemical ID: 5189958
Chemical ID:
5189958
Name [?]:
4-fluoro-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-benzenesulfonamide
SMILES [?]:
COCCSc1nnc(s1)NS(=O)(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C11H12FN3O3S3/c1-18-6-7-19-11-14-13-10(20-11)15-21(16,17)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,17,19,16,20,3,4,18,15,9,6,21,8,7,11,13,14,2,5,10,12/E:(2,3)(4,5)(16,17)/CRV:21.6/rA:21nCOCCSCNNCSNSOOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s9;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12FN3O3S3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72768 |
Area: | 527.116 |
Solvation: | -4.45021 |
Coulombic: | -29.0637 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.65 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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