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Chemical ID: 4411403
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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