Chemical ID: 6311593

c1ccc2c(c1)C(OC2=O)NS(=O)(=O)c3ccc(cc3)Cl
Chemical ID:
6311593
Name [?]:
4-chloro-N-(3-oxo-1H-isobenzofuran-1-yl)-benzenesulfonamide
SMILES [?]:
c1ccc2c(c1)C(OC2=O)NS(=O)(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C14H10ClNO4S/c15-9-5-7-10(8-6-9)21(18,19)16-13-11-3-1-2-4-12(11)14(17)20-13/h1-8,13,16H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,19,16,20,18,15,5,4,7,9,21,11,10,13,14,8,12/E:(5,6)(7,8)(18,19)/CRV:21.6/rA:21cCCCCCCCOCONSOOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s7;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClNO4S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.30249
Area:488.626
Solvation:-3.91315
Coulombic:-32.3354
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:323.752
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.17
LogP (Chemaxon):2.93

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