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Chemical ID: 7255675
Chemical ID:
7255675
Name [?]:
N-[3-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)C)S(=O)(=O)Nc2cccc(c2)S(=O)(=O)N(C)C
InChi [?]:
InChI=1/C16H20N2O4S2/c1-12-8-9-16(13(2)10-12)23(19,20)17-14-6-5-7-15(11-14)24(21,22)18(3)4/h5-11,17H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,23,24,15,14,16,3,4,7,18,2,6,13,17,5,12,22,10,11,20,21,9,19/E:(3,4)(19,20)(21,22)/CRV:23.6,24.6/rA:24nCCCCCCCCSOONCCCCCCSOONCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;d19;d19;s19;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O4S2 |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2777 |
Area: | 529.775 |
Solvation: | -2.96668 |
Coulombic: | -19.7438 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.473 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.47 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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