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Chemical ID: 3935629
Chemical ID:
3935629
Name [?]:
4-amino-N-isobutyl-benzenesulfonamide
SMILES [?]:
CC(C)CNS(=O)(=O)c1ccc(cc1)N
InChi [?]:
InChI=1/C10H16N2O2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,13,10,14,4,2,12,9,15,5,7,8,6/E:(1,2)(3,4)(5,6)(13,14)/CRV:15.6/rA:15nCCCCNSOOCCCCCCN/rB:s1;s2;s2;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N2O2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.26944 |
Area: | 407.577 |
Solvation: | -1.91999 |
Coulombic: | -29.2478 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.312 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.63 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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