Chemical ID: 4077911

Cc1cccc(c1)S(=O)(=O)NCc2cccnc2
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

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