Chemical ID: 3886275

c1ccc(c(c1)N)SCC(=O)Nc2ccccc2Cl
Chemical ID:
3886275
Name [?]:
2-(2-aminophenyl)sulfanyl-N-(2-chlorophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)N)SCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C14H13ClN2OS/c15-10-5-1-3-7-12(10)17-14(18)9-19-13-8-4-2-6-11(13)16/h1-8H,9,16H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:16,1,15,2,17,6,14,3,9,18,5,13,4,10,19,7,12,11,8/rA:19nCCCCCCNSCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13ClN2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.35115
Area:481.974
Solvation:-2.69819
Coulombic:-39.0597
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:292.785
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.04
LogP (Chemaxon):2.55

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Descriptor Annotations

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