Chemical ID: 5580040

c1ccc(c(c1)C#N)NC(=O)Nc2ccc(cc2)S(=O)(=O)N
Chemical ID:
5580040
Name [?]:
1-(2-cyanophenyl)-3-(4-sulfamoylphenyl)-urea
SMILES [?]:
c1ccc(c(c1)C#N)NC(=O)Nc2ccc(cc2)S(=O)(=O)N
InChi [?]:
InChI=1/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,18,15,17,7,5,13,16,4,10,8,22,12,9,11,20,21,19/E:(5,6)(7,8)(20,21)/CRV:22.6/rA:22nCCCCCCCNNCONCCCCCCSOON/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N4O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.37912
Area:507.906
Solvation:-3.31854
Coulombic:-53.7252
Bond Count [?]
All:23
Single:13
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.336
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:1.09
LogP (Chemaxon):1.95

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Descriptor Annotations

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