Chemical ID: 4421198

CCc1cccc(c1)NS(=O)(=O)c2ccc(cc2)OC
Chemical ID:
4421198
Name [?]:
N-(3-ethylphenyl)-4-methoxy-benzenesulfonamide
SMILES [?]:
CCc1cccc(c1)NS(=O)(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C15H17NO3S/c1-3-12-5-4-6-13(11-12)16-20(17,18)15-9-7-14(19-2)8-10-15/h4-11,16H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,5,4,6,15,17,14,18,8,3,7,16,13,9,11,12,19,10/E:(7,8)(9,10)(17,18)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.77738
Area:472.892
Solvation:-3.04492
Coulombic:-20.619
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.366
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.53
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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