4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride

C14H19ClFNO3S — CID 81481655

IUPAC4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(C(=O)N(C)CCC(C)C)c1F
InChIInChI=1S/C14H19ClFNO3S/c1-9(2)5-6-17(4)14(18)12-8-11(21(15,19)20)7-10(3)13(12)16/h7-9H,5-6H2,1-4H3
InChIKeyURCPIFKOFZKGFE-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.18
Rot. Bonds5

About 4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride

4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 81481655) has the molecular formula C14H19ClFNO3S and a molecular weight of 335.83 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride
PubChem CID81481655
Molecular FormulaC14H19ClFNO3S
Molecular Weight335.83 g/mol
Exact Mass335.08
IUPAC Name4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(C(=O)N(C)CCC(C)C)c1F
InChIInChI=1S/C14H19ClFNO3S/c1-9(2)5-6-17(4)14(18)12-8-11(21(15,19)20)7-10(3)13(12)16/h7-9H,5-6H2,1-4H3
InChIKeyURCPIFKOFZKGFE-UHFFFAOYSA-N
XLogP3.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride (CID 81481655) is 4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)cc(C(=O)N(C)CCC(C)C)c1F.
What is the InChIKey of 4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is URCPIFKOFZKGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO3S/c1-9(2)5-6-17(4)14(18)12-8-11(21(15,19)20)7-10(3)13(12)16/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride?
4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 335.83 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 81481655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).