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Chemical ID: 4237541
Chemical ID:
4237541
Name [?]:
N-[3-(methanesulfonamido)propyl]-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NCCCNS(=O)(=O)C
InChi [?]:
InChI=1/C11H18N2O4S2/c1-10-4-6-11(7-5-10)19(16,17)13-9-3-8-12-18(2,14)15/h4-7,12-13H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,13,3,7,4,6,14,12,2,5,15,11,17,18,9,10,16,8/E:(4,5)(6,7)(14,15)(16,17)/CRV:18.6,19.6/rA:19nCCCCCCCSOONCCCNSOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s15;d16;d16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N2O4S2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48214 |
Area: | 503.169 |
Solvation: | -4.09707 |
Coulombic: | -21.1174 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 306.404 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.87 |
LogP (Chemaxon): | 0.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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