Chemical ID: 7252791

CCCNS(=O)(=O)c1cccc(c1)Br
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

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Descriptor Annotations

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