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Chemical ID: 6326683
Chemical ID:
6326683
Name [?]:
4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)S(=O)(=O)N
InChi [?]:
InChI=1/C14H16N2O4S2/c1-11-2-6-14(7-3-11)22(19,20)16-10-12-4-8-13(9-5-12)21(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,7,14,18,4,6,15,17,12,2,13,16,5,22,11,20,21,9,10,19,8/E:(2,3)(4,5)(6,7)(8,9)(17,18)(19,20)/CRV:21.6,22.6/rA:22nCCCCCCCSOONCCCCCCCSOON/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O4S2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85744 |
Area: | 529.142 |
Solvation: | -3.37111 |
Coulombic: | -29.3534 |
Bond Count [?]
All: | 23 |
Single: | 13 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.42 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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