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Chemical ID: 7169424
Chemical ID:
7169424
Name [?]:
2,4-dichloro-5-(dimethylsulfamoyl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-benzamide
SMILES [?]:
CCn1ccc(n1)CN(C)C(=O)c2cc(c(cc2Cl)Cl)S(=O)(=O)N(C)C
InChi [?]:
InChI=1/C16H20Cl2N4O3S/c1-5-22-7-6-11(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:1,25,26,10,2,5,4,14,17,8,6,13,18,16,15,11,19,20,7,24,9,3,12,22,23,21/E:(2,3)(24,25)/CRV:26.6/rA:26nCCNCCCNCNCCOCCCCCCClClSOONCC/rB:s1;s2;s3;d4;s5;s3d6;s6;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: | 0 |
ZAP Information [?]
Total: | 10.2549 |
Area: | 584.499 |
Solvation: | -4.35761 |
Coulombic: | -26.4592 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 419.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.53 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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