Chemical ID: 4411403

c1c(c(cc(c1Cl)Cl)Cl)S(=O)(=O)NCCN2CCOCC2
Chemical ID:
4411403
Name [?]:
2,4,5-trichloro-N-(2-morpholinoethyl)benzenesulfonamide
SMILES [?]:
c1c(c(cc(c1Cl)Cl)Cl)S(=O)(=O)NCCN2CCOCC2
InChi [?]:
InChI=1/C12H15Cl3N2O3S/c13-9-7-11(15)12(8-10(9)14)21(18,19)16-1-2-17-3-5-20-6-4-17/h7-8,16H,1-6H2
InChi Info:
AuxInfo=1/0/N:14,15,17,21,18,20,4,1,5,6,3,2,8,7,9,13,16,11,12,19,10/E:(3,4)(5,6)(18,19)/CRV:21.6/rA:21nCCCCCCClClClSOONCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;d10;d10;s10;s13;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15Cl3N2O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.19583
Area:521.614
Solvation:-3.84451
Coulombic:-24.7401
Bond Count [?]
All:22
Single:17
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:373.683
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.19
LogP (Chemaxon):2.12

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