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Chemical ID: 6155731
Chemical ID:
6155731
Name [?]:
N-hexyl-4-(methanesulfonamido)benzenesulfonamide
SMILES [?]:
CCCCCCNS(=O)(=O)c1ccc(cc1)NS(=O)(=O)C
InChi [?]:
InChI=1/C13H22N2O4S2/c1-3-4-5-6-11-14-21(18,19)13-9-7-12(8-10-13)15-20(2,16)17/h7-10,14-15H,3-6,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,3,4,5,13,15,12,16,6,14,11,7,17,19,20,9,10,18,8/E:(7,8)(9,10)(16,17)(18,19)/CRV:20.6,21.6/rA:21nCCCCCCNSOOCCCCCCNSOOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;s17;d18;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H22N2O4S2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.93799 |
Area: | 546.809 |
Solvation: | -3.73223 |
Coulombic: | -21.7838 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 334.457 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.6 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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