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Chemical ID: 7169959
Chemical ID:
7169959
Name [?]:
2,4-dichloro-5-(diethylsulfamoyl)-N-(1,5-dimethylpyrazol-4-yl)-benzamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1cc(c(cc1Cl)Cl)C(=O)Nc2cnn(c2C)C
InChi [?]:
InChI=1/C16H20Cl2N4O3S/c1-5-22(6-2)26(24,25)15-7-11(12(17)8-13(15)18)16(23)20-14-9-19-21(4)10(14)3/h7-9H,5-6H2,1-4H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,5,25,26,2,4,10,13,21,24,11,12,14,20,9,17,16,15,22,19,23,3,18,7,8,6/E:(1,2)(5,6)(24,25)/CRV:26.6/rA:26nCCNCCSOOCCCCCCClClCONCCNNCCC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;s12;s11;d17;s17;s19;s20;d21;s22;d20s23;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20Cl2N4O3S |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.376 |
Area: | 584.445 |
Solvation: | -4.23511 |
Coulombic: | -30.4425 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 419.327 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.31 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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