Chemical ID: 4968306

CCCc1ccnc(n1)NS(=O)(=O)c2ccc(cc2)N
Chemical ID:
4968306
Name [?]:
4-amino-N-(4-propylpyrimidin-2-yl)-benzenesulfonamide
SMILES [?]:
CCCc1ccnc(n1)NS(=O)(=O)c2ccc(cc2)N
InChi [?]:
InChI=1/C13H16N4O2S/c1-2-3-11-8-9-15-13(16-11)17-20(18,19)12-6-4-10(14)5-7-12/h4-9H,2-3,14H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,16,18,15,19,5,6,17,4,14,8,20,7,9,10,12,13,11/E:(4,5)(6,7)(18,19)/CRV:20.6/rA:20nCCCCCCNCNNSOOCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N4O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.23563
Area:475.77
Solvation:-2.65863
Coulombic:-39.8485
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:292.358
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.97
LogP (Chemaxon):1.36

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Descriptor Annotations

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