Chemical ID: 4200722

Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)OCO3
Chemical ID:
4200722
Name [?]:
N-benzo[1,3]dioxol-5-yl-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C14H13NO4S/c1-10-2-5-12(6-3-10)20(16,17)15-11-4-7-13-14(8-11)19-9-18-13/h2-8,15H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,13,4,6,14,17,19,2,12,5,15,16,11,9,10,20,18,8/E:(2,3)(5,6)(16,17)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO4S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.96353
Area:448.567
Solvation:-3.25064
Coulombic:-28.8345
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:291.323
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.91
LogP (Chemaxon):2.76

Name Annotations

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Descriptor Annotations

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