Chemical ID: 7261400

c1ccc2c(c1)cccc2NS(=O)(=O)c3ccccc3Br
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

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Descriptor Annotations

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