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Chemical ID: 5491225
Chemical ID:
5491225
Name [?]:
N-butyl-2-fluoro-benzenesulfonamide
SMILES [?]:
CCCCNS(=O)(=O)c1ccccc1F
InChi [?]:
InChI=1/C10H14FNO2S/c1-2-3-8-12-15(13,14)10-7-5-4-6-9(10)11/h4-7,12H,2-3,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,12,11,13,10,4,14,9,15,5,7,8,6/E:(13,14)/CRV:15.6/rA:15nCCCCNSOOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14FNO2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48193 |
Area: | 394.539 |
Solvation: | -2.38153 |
Coulombic: | -17.0646 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 231.288 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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