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Chemical ID: 4066421
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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