Chemical ID: 4712772

c1cc(ccc1CNS(=O)(=O)CCCCl)F
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

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Descriptor Annotations

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