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Chemical ID: 4277572
Chemical ID:
4277572
Name [?]:
3-amino-4-methyl-N-phenyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1N)S(=O)(=O)Nc2ccccc2
InChi [?]:
InChI=1/C13H14N2O2S/c1-10-7-8-12(9-13(10)14)18(16,17)15-11-5-3-2-4-6-11/h2-9,15H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,3,4,6,2,13,5,7,8,12,10,11,9/E:(3,4)(5,6)(16,17)/CRV:18.6/rA:18nCCCCCCCNSOONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71088 |
Area: | 425.531 |
Solvation: | -1.92738 |
Coulombic: | -29.7021 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 262.329 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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