Chemical ID: 7280961

CN(c1ccc(cc1)Cl)S(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccccc3OC
Chemical ID:
7280961
Name [?]:
4-chloro-3-[(4-chlorophenyl)-methyl-sulfamoyl]-N-(2-methoxyphenyl)-benzamide
SMILES [?]:
CN(c1ccc(cc1)Cl)S(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C21H18Cl2N2O4S/c1-25(16-10-8-15(22)9-11-16)30(27,28)20-13-14(7-12-17(20)23)21(26)24-18-5-3-4-6-19(18)29-2/h3-13H,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,30,25,26,24,27,16,5,7,4,8,17,14,15,6,3,18,23,28,13,20,9,19,22,2,21,11,12,29,10/E:(8,9)(10,11)(27,28)/CRV:30.6/rA:30cCNCCCCCCClSOOCCCCCCClCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18Cl2N2O4S
All Atoms:48
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.7695
Area:644.075
Solvation:-4.33233
Coulombic:-37.7726
Bond Count [?]
All:32
Single:20
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:465.35
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.41
LogP (Chemaxon):4.69

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Descriptor Annotations

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