Chemical ID: 6647993

c1cc(ccc1N)SCC(=O)Nc2ccc(cc2)Cl
Chemical ID:
6647993
Name [?]:
2-(4-aminophenyl)sulfanyl-N-(4-chlorophenyl)-acetamide
SMILES [?]:
c1cc(ccc1N)SCC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H13ClN2OS/c15-10-1-5-12(6-2-10)17-14(18)9-19-13-7-3-11(16)4-8-13/h1-8H,9,16H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:15,17,1,5,14,18,2,4,9,16,6,13,3,10,19,7,12,11,8/E:(1,2)(3,4)(5,6)(7,8)/rA:19nCCCCCCNSCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s3;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13ClN2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.37199
Area:492.771
Solvation:-2.94728
Coulombic:-37.9139
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):3.2

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Descriptor Annotations

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