Chemical ID: 7169988

CCn1c(c(cn1)NC(=O)c2cc(c(cc2Cl)Cl)S(=O)(=O)N(C)C)C
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

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Descriptor Annotations

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