Chemical ID: 6447012

Cc1ccc(c(c1)C)NC(=O)CN(C)S(=O)(=O)c2cc(ccc2Cl)Cl
Chemical ID:
6447012
Name [?]:
2-[(2,5-dichlorophenyl)sulfonyl-methyl-amino]-N-(2,4-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)CN(C)S(=O)(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C17H18Cl2N2O3S/c1-11-4-7-15(12(2)8-11)20-17(22)10-21(3)25(23,24)16-9-13(18)5-6-14(16)19/h4-9H,10H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,14,3,21,22,4,7,19,12,2,6,20,23,5,18,10,25,24,9,13,11,16,17,15/E:(23,24)/CRV:25.6/rA:25cCCCCCCCCNCOCNCSOOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s13;d15;d15;s15;s18;d19;s20;d21;d18s22;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18Cl2N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.4072
Area:582.055
Solvation:-4.1442
Coulombic:-27.5778
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:401.308
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.76
LogP (Chemaxon):3.57

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Descriptor Annotations

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