2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride

C11H10ClF4NO3S — CID 106295733

IUPAC2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
SMILESCc1ccc(C(=O)NCC(F)(F)C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H10ClF4NO3S/c1-6-2-3-7(4-8(6)21(12,19)20)9(18)17-5-11(15,16)10(13)14/h2-4,10H,5H2,1H3,(H,17,18)
InChIKeyJXWCDCKOCKCUJN-UHFFFAOYSA-N
MW347.72 g/mol
LogP2.55
Rot. Bonds5

About 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride

2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride (PubChem CID 106295733) has the molecular formula C11H10ClF4NO3S and a molecular weight of 347.72 g/mol. Its IUPAC name is 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
PubChem CID106295733
Molecular FormulaC11H10ClF4NO3S
Molecular Weight347.72 g/mol
Exact Mass347.00
IUPAC Name2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
SMILESCc1ccc(C(=O)NCC(F)(F)C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H10ClF4NO3S/c1-6-2-3-7(4-8(6)21(12,19)20)9(18)17-5-11(15,16)10(13)14/h2-4,10H,5H2,1H3,(H,17,18)
InChIKeyJXWCDCKOCKCUJN-UHFFFAOYSA-N
XLogP2.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684
2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295727
2-methyl-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367998
5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 114944525
2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride
CID 106295734
2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65371621
5-(2,2-dimethylbutylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 103465603
3-bromo-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106292523
4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528791
4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528310
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370050
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride (CID 106295733) is 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride is Cc1ccc(C(=O)NCC(F)(F)C(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is JXWCDCKOCKCUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF4NO3S/c1-6-2-3-7(4-8(6)21(12,19)20)9(18)17-5-11(15,16)10(13)14/h2-4,10H,5H2,1H3,(H,17,18).
What are the key properties of 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride?
2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 347.72 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 106295733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).