Chemical ID: 7169959

CCN(CC)S(=O)(=O)c1cc(c(cc1Cl)Cl)C(=O)Nc2cnn(c2C)C
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

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Descriptor Annotations

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