Chemical ID: 5600897

Cc1ccc(c(c1)S(=O)(=O)Nc2cccc(c2)S(=O)(=O)N(C)C)C
Chemical ID:
5600897
Name [?]:
N-[3-(dimethylsulfamoyl)phenyl]-2,5-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)Nc2cccc(c2)S(=O)(=O)N(C)C)C
InChi [?]:
InChI=1/C16H20N2O4S2/c1-12-8-9-13(2)16(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:1,24,22,23,14,13,15,3,4,7,17,2,5,12,16,6,11,21,9,10,19,20,8,18/E:(3,4)(19,20)(21,22)/CRV:23.6,24.6/rA:24nCCCCCCCSOONCCCCCCSOONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O4S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2179
Area:528.01
Solvation:-2.98237
Coulombic:-19.764
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

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Descriptor Annotations

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