Chemical ID: 4753732

CCc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)S(=O)(=O)N(C)C
Chemical ID:
4753732
Name [?]:
3-(4-ethylphenyl)sulfonylamino-N,N,4-trimethyl-benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)S(=O)(=O)N(C)C
InChi [?]:
InChI=1/C17H22N2O4S2/c1-5-14-7-10-15(11-8-14)24(20,21)18-17-12-16(9-6-13(17)2)25(22,23)19(3)4/h6-12,18H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,24,25,2,17,4,8,16,5,7,14,18,3,6,15,13,12,23,10,11,21,22,9,20/E:(3,4)(7,8)(10,11)(20,21)(22,23)/CRV:24.6,25.6/rA:25nCCCCCCCCSOONCCCCCCCSOONCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s18;s15;d20;d20;s20;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O4S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.019
Area:556.19
Solvation:-2.8857
Coulombic:-20.1424
Bond Count [?]
All:26
Single:16
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.5
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.93
LogP (Chemaxon):3.06

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Descriptor Annotations

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