Chemical ID: 4202308

COc1ccc(cc1)S(=O)(=O)NC2CC2
Chemical ID:
4202308
Name [?]:
N-cyclopropyl-4-methoxy-benzenesulfonamide
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)NC2CC2
InChi [?]:
InChI=1/C10H13NO3S/c1-14-9-4-6-10(7-5-9)15(12,13)11-8-2-3-8/h4-8,11H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,4,8,5,7,13,3,6,12,10,11,2,9/E:(2,3)(4,5)(6,7)(12,13)/CRV:15.6/rA:15nCOCCCCCCSOONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s13s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO3S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.83144
Area:396.942
Solvation:-3.09211
Coulombic:-19.0425
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:227.281
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.33
LogP (Chemaxon):1.07

Name Annotations

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Descriptor Annotations

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