Chemical ID: 5505700

c1ccc(cc1)S(=O)(=O)CC(=O)Nc2ccc(c(c2)Cl)Br
Chemical ID:
5505700
Name [?]:
N-(4-bromo-3-chloro-phenyl)-2-phenylsulfonyl-acetamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)CC(=O)Nc2ccc(c(c2)Cl)Br
InChi [?]:
InChI=1/C14H11BrClNO3S/c15-12-7-6-10(8-13(12)16)17-14(18)9-21(19,20)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,16,19,10,14,4,17,18,11,21,20,13,12,8,9,7/E:(2,3)(4,5)(19,20)/CRV:21.6/rA:21nCCCCCCSOOCCONCCCCCCClBr/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrClNO3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.19149
Area:516.531
Solvation:-4.72178
Coulombic:-22.9969
Bond Count [?]
All:22
Single:13
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:388.665
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.08
LogP (Chemaxon):3.58

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