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Chemical ID: 6452229
Chemical ID:
6452229
Name [?]:
N-(2-chlorophenyl)-4-phenyl-benzenesulfonamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C18H14ClNO2S/c19-17-8-4-5-9-18(17)20-23(21,22)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,20H
InChi Info:
AuxInfo=1/0/N:1,2,6,20,19,3,5,21,18,8,12,9,11,4,7,10,22,17,23,16,14,15,13/E:(2,3)(6,7)(10,11)(12,13)(21,22)/CRV:23.6/rA:23nCCCCCCCCCCCCSOONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;d13;s13;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClNO2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0773 |
Area: | 520.93 |
Solvation: | -1.94598 |
Coulombic: | -16.4347 |
Bond Count [?]
All: | 25 |
Single: | 14 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 343.828 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.28 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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