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Chemical ID: 6311593
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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