Chemical ID: 4447310

CCOc1ccc(cc1)NS(=O)(=O)c2cccc(c2)Cl
Chemical ID:
4447310
Name [?]:
3-chloro-N-(4-ethoxyphenyl)-benzenesulfonamide
SMILES [?]:
CCOc1ccc(cc1)NS(=O)(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C14H14ClNO3S/c1-2-19-13-8-6-12(7-9-13)16-20(17,18)14-5-3-4-11(15)10-14/h3-10,16H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,17,15,6,8,5,9,19,18,7,4,14,20,10,12,13,3,11/E:(6,7)(8,9)(17,18)/CRV:20.6/rA:20nCCOCCCCCCNSOOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14ClNO3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.11861
Area:487.715
Solvation:-3.07426
Coulombic:-20.5277
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.785
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.68
LogP (Chemaxon):3.22

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Descriptor Annotations

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