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Chemical ID: 4753732
Chemical ID:
4753732
Name [?]:
3-(4-ethylphenyl)sulfonylamino-N,N,4-trimethyl-benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)S(=O)(=O)N(C)C
InChi [?]:
InChI=1/C17H22N2O4S2/c1-5-14-7-10-15(11-8-14)24(20,21)18-17-12-16(9-6-13(17)2)25(22,23)19(3)4/h6-12,18H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,24,25,2,17,4,8,16,5,7,14,18,3,6,15,13,12,23,10,11,21,22,9,20/E:(3,4)(7,8)(10,11)(20,21)(22,23)/CRV:24.6,25.6/rA:25nCCCCCCCCSOONCCCCCCCSOONCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s18;s15;d20;d20;s20;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O4S2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.019 |
Area: | 556.19 |
Solvation: | -2.8857 |
Coulombic: | -20.1424 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.5 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.93 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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