Chemical ID: 7272024

CCC(C)NS(=O)(=O)c1ccc(cc1)C(=O)C
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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Descriptor Annotations

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