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Chemical ID: 7261400
Chemical ID:
7261400
Name [?]:
2-bromo-N-(1-naphthyl)benzenesulfonamide
SMILES [?]:
c1ccc2c(c1)cccc2NS(=O)(=O)c3ccccc3Br
InChi [?]:
InChI=1/C16H12BrNO2S/c17-14-9-3-4-11-16(14)21(19,20)18-15-10-5-7-12-6-1-2-8-13(12)15/h1-11,18H
InChi Info:
AuxInfo=1/0/N:1,2,18,17,8,6,7,3,19,9,16,5,4,20,10,15,21,11,13,14,12/E:(19,20)/CRV:21.6/rA:21nCCCCCCCCCCNSOOCCCCCCBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12BrNO2S |
All Atoms: | 33 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45489 |
Area: | 461.667 |
Solvation: | -2.08679 |
Coulombic: | -14.8237 |
Bond Count [?]
All: | 23 |
Single: | 13 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 362.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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