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Chemical ID: 7252791
Chemical ID:
7252791
Name [?]:
3-bromo-N-propyl-benzenesulfonamide
SMILES [?]:
CCCNS(=O)(=O)c1cccc(c1)Br
InChi [?]:
InChI=1/C9H12BrNO2S/c1-2-6-11-14(12,13)9-5-3-4-8(10)7-9/h3-5,7,11H,2,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,3,13,12,8,14,4,6,7,5/E:(12,13)/CRV:14.6/rA:14nCCCNSOOCCCCCCBr/rB:s1;s2;s3;s4;d5;d5;s5;s8;d9;s10;d11;d8s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12BrNO2S |
All Atoms: | 26 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34022 |
Area: | 400.248 |
Solvation: | -1.66598 |
Coulombic: | -13.1803 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 278.167 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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