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Chemical ID: 7272024
Chemical ID:
7272024
Name [?]:
4-acetyl-N-sec-butyl-benzenesulfonamide
SMILES [?]:
CCC(C)NS(=O)(=O)c1ccc(cc1)C(=O)C
InChi [?]:
InChI=1/C12H17NO3S/c1-4-9(2)13-17(15,16)12-7-5-11(6-8-12)10(3)14/h5-9,13H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,17,2,11,13,10,14,3,15,12,9,5,16,7,8,6/E:(5,6)(7,8)(15,16)/CRV:17.6/rA:17cCCCCNSOOCCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO3S |
All Atoms: | 34 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.8584 |
Area: | 429.321 |
Solvation: | -2.87462 |
Coulombic: | -19.9833 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 255.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.95 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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