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Chemical ID: 3991917
Chemical ID:
3991917
Name [?]:
3-amino-4-chloro-N-ethyl-N-phenyl-benzenesulfonamide
SMILES [?]:
CCN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)N)Cl
InChi [?]:
InChI=1/C14H15ClN2O2S/c1-2-17(11-6-4-3-5-7-11)20(18,19)12-8-9-13(15)14(16)10-12/h3-10H,2,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,9,14,15,18,4,13,16,17,20,19,3,11,12,10/E:(4,5)(6,7)(18,19)/CRV:20.6/rA:20cCCNCCCCCCSOOCCCCCCNCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.63321 |
Area: | 470.528 |
Solvation: | -2.12998 |
Coulombic: | -25.6294 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.8 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.51 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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