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Chemical ID: 7519344
Chemical ID:
7519344
Name [?]:
2-(methyl-phenylsulfonyl-amino)-N-(4H-1,2,4-triazol-3-yl)acetamide
SMILES [?]:
CN(CC(=O)Nc1[nH]cnn1)S(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C11H13N5O3S/c1-16(7-10(17)14-11-12-8-13-15-11)20(18,19)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,13,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,3,9,15,4,7,8,10,6,11,2,5,13,14,12/E:(3,4)(5,6)(18,19)/CRV:20.6/rA:20cCNCCONCNCNNSOOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;d7s10;s2;d12;d12;s12;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N5O3S |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.30344 |
Area: | 466.262 |
Solvation: | -4.3531 |
Coulombic: | -42.095 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.37 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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