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Chemical ID: 6549046
Chemical ID:
6549046
Name [?]:
4-(diethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N(CCO)CCO
InChi [?]:
InChI=1/C15H24N2O5S/c1-3-17(4-2)23(21,22)14-7-5-13(6-8-14)15(20)16(9-11-18)10-12-19/h5-8,18-19H,3-4,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,13,10,14,18,21,19,22,12,9,15,17,3,20,23,16,7,8,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(18,19)(21,22)/CRV:23.6/rA:23nCCNCCSOOCCCCCCCONCCOCCO/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;s19;s17;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O5S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.17037 |
Area: | 537.597 |
Solvation: | -5.26956 |
Coulombic: | -57.0695 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 344.428 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 0.09 |
LogP (Chemaxon): | 0.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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