Chemical ID: 4073482

CN(Cc1cccnc1)S(=O)(=O)c2ccc(cc2)C#N
Chemical ID:
4073482
Name [?]:
4-cyano-N-methyl-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
CN(Cc1cccnc1)S(=O)(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C14H13N3O2S/c1-17(11-13-3-2-8-16-10-13)20(18,19)14-6-4-12(9-15)5-7-14/h2-8,10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,15,17,14,18,7,19,9,3,16,4,13,20,8,2,11,12,10/E:(4,5)(6,7)(18,19)/CRV:20.6/rA:20cCNCCCCCNCSOOCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.40726
Area:473.686
Solvation:-3.43489
Coulombic:-15.1188
Bond Count [?]
All:21
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.338
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.29
LogP (Chemaxon):1.45

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Descriptor Annotations

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