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Chemical ID: 4079572
Chemical ID:
4079572
Name [?]:
3,5-dichloro-N-methyl-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
CN(Cc1cccnc1)S(=O)(=O)c2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C13H12Cl2N2O2S/c1-17(9-10-3-2-4-16-8-10)20(18,19)13-6-11(14)5-12(15)7-13/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,16,14,18,9,3,4,15,17,13,20,19,8,2,11,12,10/E:(6,7)(11,12)(14,15)(18,19)/CRV:20.6/rA:20cCNCCCCCNCSOOCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12Cl2N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.59154 |
Area: | 501.562 |
Solvation: | -2.94752 |
Coulombic: | -12.074 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 331.218 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.81 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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