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Chemical ID: 4914173
Chemical ID:
4914173
Name [?]:
2-phenylsulfonylaniline
SMILES [?]:
c1ccc(cc1)S(=O)(=O)c2ccccc2N
InChi [?]:
InChI=1/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,12,3,5,14,11,4,15,10,16,8,9,7/E:(2,3)(6,7)(14,15)/CRV:16.6/rA:16nCCCCCCSOOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.79198 |
Area: | 381.906 |
Solvation: | -1.75566 |
Coulombic: | -23.6713 |
Bond Count [?]
All: | 17 |
Single: | 9 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.287 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.82 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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