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Chemical ID: 5333184
Chemical ID:
5333184
Name [?]:
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
SMILES [?]:
Cc1cccc(c1C)NS(=O)(=O)c2cc(ccc2Cl)C(=O)NC(C)c3ccccc3
InChi [?]:
InChI=1/C23H23ClN2O3S/c1-15-8-7-11-21(16(15)2)26-30(28,29)22-14-19(12-13-20(22)24)23(27)25-17(3)18-9-5-4-6-10-18/h4-14,17,26H,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,8,24,28,27,29,4,3,26,30,5,16,17,14,2,7,23,25,15,18,6,13,20,19,22,9,21,11,12,10/E:(5,6)(9,10)(28,29)/CRV:30.6/rA:30cCCCCCCCCNSOOCCCCCCClCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;s22;s23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23ClN2O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7896 |
Area: | 649.948 |
Solvation: | -3.45906 |
Coulombic: | -35.8192 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 442.959 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.64 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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