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Chemical ID: 6697412
Chemical ID:
6697412
Name [?]:
N-[(1-ethyl-2,3,4,5-tetrahydropyrrol-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide
SMILES [?]:
CC[NH+]1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
InChi [?]:
InChI=1/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,19,2,5,6,15,16,4,13,8,7,14,12,17,10,23,9,3,11,21,22,18,20/E:(20,21)/CRV:23.6/rA:23cCCN+CCCCCNCOCCCCCCOCSOON/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s14;d20;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N3O4S+ |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -20.7154 |
Area: | 540.836 |
Solvation: | -34.2363 |
Coulombic: | -12.6726 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 342.435 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 0.62 |
LogP (Chemaxon): | -0.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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