Chemical ID: 4078098

COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)Cl
Chemical ID:
4078098
Name [?]:
5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILES [?]:
COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)Cl
InChi [?]:
InChI=1/C12H12ClNO3S2/c1-17-10-4-2-9(3-5-10)8-14-19(15,16)12-7-6-11(13)18-12/h2-7,14H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,16,15,9,6,3,17,14,19,10,12,13,2,18,11/E:(2,3)(4,5)(15,16)/CRV:19.6/rA:19nCOCCCCCCCNSOOCCCCSCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;d11;s11;d14;s15;d16;s14s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12ClNO3S2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.03992
Area:501.644
Solvation:-3.50117
Coulombic:-20.9007
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.813
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.81
LogP (Chemaxon):2.49

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