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Chemical ID: 7529627
Chemical ID:
7529627
Name [?]:
1-(4-chlorophenyl)-N,N-bis(cyanomethyl)methanesulfonamide
SMILES [?]:
c1cc(ccc1CS(=O)(=O)N(CC#N)CC#N)Cl
InChi [?]:
InChI=1/C11H10ClN3O2S/c12-11-3-1-10(2-4-11)9-18(16,17)15(7-5-13)8-6-14/h1-4H,7-9H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,16,12,15,7,6,3,18,14,17,11,9,10,8/E:(1,2)(3,4)(5,6)(7,8)(13,14)(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCNCCNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;d8;s8;s11;s12;t13;s11;s15;t16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10ClN3O2S |
All Atoms: | 28 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.65334 |
Area: | 474.996 |
Solvation: | -4.22155 |
Coulombic: | -11.486 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.71 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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