Chemical ID: 3907898

c1cc(cc(c1)S(=O)(=O)NCc2cccnc2)N
Chemical ID:
3907898
Name [?]:
3-amino-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NCc2cccnc2)N
InChi [?]:
InChI=1/C12H13N3O2S/c13-11-4-1-5-12(7-11)18(16,17)15-9-10-3-2-6-14-8-10/h1-8,15H,9,13H2
InChi Info:
AuxInfo=1/0/N:1,14,13,2,6,15,4,17,11,12,3,5,18,16,10,8,9,7/E:(16,17)/CRV:18.6/rA:18nCCCCCCSOONCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;d13;s14;d15;d12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.27818
Area:446.375
Solvation:-2.8812
Coulombic:-33.058
Bond Count [?]
All:19
Single:11
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.317
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.51
LogP (Chemaxon):0.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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