Chemical ID: 4066421

CCCCNS(=O)(=O)c1ccc(cc1)C
Chemical ID:
4066421
Name [?]:
N-butyl-4-methyl-benzenesulfonamide
SMILES [?]:
CCCCNS(=O)(=O)c1ccc(cc1)C
InChi [?]:
InChI=1/C11H17NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h5-8,12H,3-4,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,3,11,13,10,14,4,12,9,5,7,8,6/E:(5,6)(7,8)(13,14)/CRV:15.6/rA:15nCCCCNSOOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17NO2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.80884
Area:418.935
Solvation:-1.66452
Coulombic:-13.779
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:227.324
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.66
LogP (Chemaxon):2.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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