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Chemical ID: 4771358
Chemical ID:
4771358
Name [?]:
4-chloro-N-[(4-chlorophenyl)methyl]-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
c1cc(cnc1)CN(Cc2ccc(cc2)Cl)S(=O)(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O2S/c20-17-5-3-15(4-6-17)13-23(14-16-2-1-11-22-12-16)26(24,25)19-9-7-18(21)8-10-19/h1-12H,13-14H2
InChi Info:
AuxInfo=1/0/N:1,2,11,15,12,14,22,24,21,25,6,4,9,7,10,3,13,23,20,16,26,5,8,18,19,17/E:(3,4)(5,6)(7,8)(9,10)(24,25)/CRV:26.6/rA:26cCCCCNCCNCCCCCCCClSOOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;d17;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl2N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3088 |
Area: | 575.081 |
Solvation: | -3.06821 |
Coulombic: | -15.0208 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 407.314 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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