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Chemical ID: 5505700
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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