Chemical ID: 3991701

COc1ccccc1NS(=O)(=O)c2cc(ccc2Cl)N
Chemical ID:
3991701
Name [?]:
5-amino-2-chloro-N-(2-methoxyphenyl)-benzenesulfonamide
SMILES [?]:
COc1ccccc1NS(=O)(=O)c2cc(ccc2Cl)N
InChi [?]:
InChI=1/C13H13ClN2O3S/c1-19-12-5-3-2-4-11(12)16-20(17,18)13-8-9(15)6-7-10(13)14/h2-8,16H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,16,17,14,15,18,8,3,13,19,20,9,11,12,2,10/E:(17,18)/CRV:20.6/rA:20nCOCCCCCCNSOOCCCCCCClN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13ClN2O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.05651
Area:461.461
Solvation:-3.48002
Coulombic:-36.2458
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:312.773
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.43
LogP (Chemaxon):2.09

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