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Chemical ID: 4712772
Chemical ID:
4712772
Name [?]:
3-chloro-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide
SMILES [?]:
c1cc(ccc1CNS(=O)(=O)CCCCl)F
InChi [?]:
InChI=1/C10H13ClFNO2S/c11-6-1-7-16(14,15)13-8-9-2-4-10(12)5-3-9/h2-5,13H,1,6-8H2
InChi Info:
AuxInfo=1/0/N:13,1,5,2,4,14,12,7,6,3,15,16,8,10,11,9/E:(2,3)(4,5)(14,15)/CRV:16.6/rA:16nCCCCCCCNSOOCCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;d9;s9;s12;s13;s14;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13ClFNO2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.15347 |
Area: | 448.488 |
Solvation: | -4.05872 |
Coulombic: | -14.1972 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 265.733 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.35 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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