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Chemical ID: 7092487
Chemical ID:
7092487
Name [?]:
2-amino-N-(2-methoxyethyl)benzenesulfonamide
SMILES [?]:
COCCNS(=O)(=O)c1ccccc1N
InChi [?]:
InChI=1/C9H14N2O3S/c1-14-7-6-11-15(12,13)9-5-3-2-4-8(9)10/h2-5,11H,6-7,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,4,3,14,9,15,5,7,8,2,6/E:(12,13)/CRV:15.6/rA:15nCOCCNSOOCCCCCCN/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.53047 |
Area: | 396.996 |
Solvation: | -3.39444 |
Coulombic: | -36.8618 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 230.285 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.51 |
LogP (Chemaxon): | 0.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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