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Chemical ID: 7169300
Chemical ID:
7169300
Name [?]:
2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-benzamide
SMILES [?]:
CCn1c(ccn1)CN(C)C(=O)c2cc(c(cc2Cl)Cl)S(=O)(=O)N(C)C
InChi [?]:
InChI=1/C16H20Cl2N4O3S/c1-5-22-11(6-7-19-22)10-21(4)16(23)12-8-15(14(18)9-13(12)17)26(24,25)20(2)3/h6-9H,5,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,26,10,2,5,6,14,17,8,4,13,18,16,15,11,19,20,7,24,9,3,12,22,23,21/E:(2,3)(24,25)/CRV:26.6/rA:26nCCNCCCNCNCCOCCCCCCClClSOONCC/rB:s1;s2;s3;d4;s5;s3d6;s4;s8;s9;s9;d11;s11;s13;d14;s15;d16;d13s17;s18;s16;s15;d21;d21;s21;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20Cl2N4O3S |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.78227 |
Area: | 576.612 |
Solvation: | -4.63304 |
Coulombic: | -25.9765 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.62 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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