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Chemical ID: 7169520
Chemical ID:
7169520
Name [?]:
2,4-dichloro-N-(1,5-dimethylpyrazol-4-yl)-5-(dimethylsulfamoyl)benzamide
SMILES [?]:
Cc1c(cnn1C)NC(=O)c2cc(c(cc2Cl)Cl)S(=O)(=O)N(C)C
InChi [?]:
InChI=1/C14H16Cl2N4O3S/c1-8-12(7-17-20(8)4)18-14(21)9-5-13(11(16)6-10(9)15)24(22,23)19(2)3/h5-7H,1-4H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,23,24,7,12,15,4,2,11,16,14,3,13,9,17,18,5,8,22,6,10,20,21,19/E:(2,3)(22,23)/CRV:24.6/rA:24nCCCCNNCNCOCCCCCCClClSOONCC/rB:s1;d2;s3;d4;s2s5;s6;s3;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;s13;d19;d19;s19;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16Cl2N4O3S |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.40958 |
Area: | 548.452 |
Solvation: | -4.30173 |
Coulombic: | -29.8331 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.273 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.46 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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