Chemical ID: 6392982

c1cc(ccc1S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc(cc2)Cl)Cl
Chemical ID:
6392982
Name [?]:
4-chloro-N-[6-(4-chlorophenyl)sulfonylaminohexyl]benzenesulfonamide
SMILES [?]:
c1cc(ccc1S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C18H22Cl2N2O4S2/c19-15-5-9-17(10-6-15)27(23,24)21-13-3-1-2-4-14-22-28(25,26)18-11-7-16(20)8-12-18/h5-12,21-22H,1-4,13-14H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,2,4,23,25,1,5,22,26,11,16,3,24,6,21,28,27,10,17,8,9,19,20,7,18/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24,25,26)(27,28)/CRV:27.6,28.6/rA:28nCCCCCCSOONCCCCCCNSOOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s14;s15;s16;s17;d18;d18;s18;s21;d22;s23;d24;d21s25;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22Cl2N2O4S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:14.2903
Area:714.063
Solvation:-3.56129
Coulombic:-26.3676
Bond Count [?]
All:29
Single:19
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:465.416
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.21
LogP (Chemaxon):4.01

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Descriptor Annotations

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