Chemical ID: 7169300

CCn1c(ccn1)CN(C)C(=O)c2cc(c(cc2Cl)Cl)S(=O)(=O)N(C)C
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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