4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide

C9H11ClFNO2S — CID 59709375

IUPAC4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C9H11ClFNO2S/c1-5(2)6-3-9(15(12,13)14)8(11)4-7(6)10/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyPMQJNXZWHHNBKF-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.25
Rot. Bonds2

About 4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide

4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide (PubChem CID 59709375) has the molecular formula C9H11ClFNO2S and a molecular weight of 251.71 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide
PubChem CID59709375
Molecular FormulaC9H11ClFNO2S
Molecular Weight251.71 g/mol
Exact Mass251.02
IUPAC Name4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C9H11ClFNO2S/c1-5(2)6-3-9(15(12,13)14)8(11)4-7(6)10/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyPMQJNXZWHHNBKF-UHFFFAOYSA-N
XLogP2.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide (CID 59709375) is 4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide is CC(C)c1cc(S(N)(=O)=O)c(F)cc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide?
The InChIKey is PMQJNXZWHHNBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2S/c1-5(2)6-3-9(15(12,13)14)8(11)4-7(6)10/h3-5H,1-2H3,(H2,12,13,14).
What are the key properties of 4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide?
4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide has a molecular weight of 251.71 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 59709375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).