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Chemical ID: 5155866
Chemical ID:
5155866
Name [?]:
2-(4-aminophenyl)sulfonyl-N,N-diethyl-acetamide
SMILES [?]:
CCN(CC)C(=O)CS(=O)(=O)c1ccc(cc1)N
InChi [?]:
InChI=1/C12H18N2O3S/c1-3-14(4-2)12(15)9-18(16,17)11-7-5-10(13)6-8-11/h5-8H,3-4,9,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,14,16,13,17,8,15,12,6,18,3,7,10,11,9/E:(1,2)(3,4)(5,6)(7,8)(16,17)/CRV:18.6/rA:18nCCNCCCOCSOOCCCCCCN/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.95205 |
Area: | 460.414 |
Solvation: | -4.55829 |
Coulombic: | -33.8084 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.349 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.12 |
LogP (Chemaxon): | 0.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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