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Chemical ID: 4076614
Chemical ID:
4076614
Name [?]:
N-(4-dimethylaminophenyl)-3,4-dimethoxy-benzenesulfonamide
SMILES [?]:
CN(C)c1ccc(cc1)NS(=O)(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C16H20N2O4S/c1-18(2)13-7-5-12(6-8-13)17-23(19,20)14-9-10-15(21-3)16(11-14)22-4/h5-11,17H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,23,21,6,8,5,9,15,16,19,7,4,14,17,18,10,2,12,13,22,20,11/E:(1,2)(5,6)(7,8)(19,20)/CRV:23.6/rA:23nCNCCCCCCCNSOOCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26761 |
Area: | 512.97 |
Solvation: | -5.55665 |
Coulombic: | -31.5243 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 336.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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