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Chemical ID: 5313484
Chemical ID:
5313484
Name [?]:
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(1-phenylethyl)benzamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2cc(ccc2C)C(=O)NC(C)c3ccccc3)C
InChi [?]:
InChI=1/C24H26N2O3S/c1-16-10-11-17(2)22(14-16)26-30(28,29)23-15-21(13-12-18(23)3)24(27)25-19(4)20-8-6-5-7-9-20/h5-15,19,26H,1-4H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,30,18,23,27,26,28,25,29,3,4,16,15,7,13,2,5,17,22,24,14,6,12,19,21,8,20,10,11,9/E:(6,7)(8,9)(28,29)/CRV:30.6/rA:30cCCCCCCCNSOOCCCCCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;s22;s24;d25;s26;d27;d24s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N2O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6085 |
Area: | 632.611 |
Solvation: | -3.20679 |
Coulombic: | -36.271 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 422.541 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.24 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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