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Chemical ID: 7169988
Chemical ID:
7169988
Name [?]:
2,4-dichloro-5-(dimethylsulfamoyl)-N-(1-ethyl-5-methyl-pyrazol-4-yl)-benzamide
SMILES [?]:
CCn1c(c(cn1)NC(=O)c2cc(c(cc2Cl)Cl)S(=O)(=O)N(C)C)C
InChi [?]:
InChI=1/C15H18Cl2N4O3S/c1-5-21-9(2)13(8-18-21)19-15(22)10-6-14(12(17)7-11(10)16)25(23,24)20(3)4/h6-8H,5H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,24,2,12,15,6,4,11,16,14,5,13,9,17,18,7,8,22,3,10,20,21,19/E:(3,4)(23,24)/CRV:25.6/rA:25nCCNCCCNNCOCCCCCCClClSOONCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;s13;d19;d19;s19;s22;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18Cl2N4O3S |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1351 |
Area: | 575.418 |
Solvation: | -4.25034 |
Coulombic: | -30.1694 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 405.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.88 |
LogP (Chemaxon): | 1.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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