3-butyl-5-chloro-2-fluorobenzenesulfonamide

C10H13ClFNO2S — CID 68517898

IUPAC3-butyl-5-chloro-2-fluorobenzenesulfonamide
SMILESCCCCc1cc(Cl)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C10H13ClFNO2S/c1-2-3-4-7-5-8(11)6-9(10(7)12)16(13,14)15/h5-6H,2-4H2,1H3,(H2,13,14,15)
InChIKeyLZKCQDOCDCHFQT-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.47
Rot. Bonds4

About 3-butyl-5-chloro-2-fluorobenzenesulfonamide

3-butyl-5-chloro-2-fluorobenzenesulfonamide (PubChem CID 68517898) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-butyl-5-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-butyl-5-chloro-2-fluorobenzenesulfonamide
PubChem CID68517898
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name3-butyl-5-chloro-2-fluorobenzenesulfonamide
SMILESCCCCc1cc(Cl)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C10H13ClFNO2S/c1-2-3-4-7-5-8(11)6-9(10(7)12)16(13,14)15/h5-6H,2-4H2,1H3,(H2,13,14,15)
InChIKeyLZKCQDOCDCHFQT-UHFFFAOYSA-N
XLogP2.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of 3-butyl-5-chloro-2-fluorobenzenesulfonamide (CID 68517898) is 3-butyl-5-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-butyl-5-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-butyl-5-chloro-2-fluorobenzenesulfonamide is CCCCc1cc(Cl)cc(S(N)(=O)=O)c1F.
What is the InChIKey of 3-butyl-5-chloro-2-fluorobenzenesulfonamide?
The InChIKey is LZKCQDOCDCHFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-2-3-4-7-5-8(11)6-9(10(7)12)16(13,14)15/h5-6H,2-4H2,1H3,(H2,13,14,15).
What are the key properties of 3-butyl-5-chloro-2-fluorobenzenesulfonamide?
3-butyl-5-chloro-2-fluorobenzenesulfonamide has a molecular weight of 265.74 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 68517898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).