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Chemical ID: 4077911
Chemical ID:
4077911
Name [?]:
3-methyl-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)NCc2cccnc2
InChi [?]:
InChI=1/C13H14N2O2S/c1-11-4-2-6-13(8-11)18(16,17)15-10-12-5-3-7-14-9-12/h2-9,15H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,15,3,14,5,16,7,18,12,2,13,6,17,11,9,10,8/E:(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62456 |
Area: | 449.239 |
Solvation: | -2.6064 |
Coulombic: | -17.5934 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.77 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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