3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride

C12H13ClFNO3S — CID 65397012

IUPAC3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride
SMILESCc1c(C(=O)NC2CCC2)cc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H13ClFNO3S/c1-7-10(12(16)15-9-3-2-4-9)5-8(14)6-11(7)19(13,17)18/h5-6,9H,2-4H2,1H3,(H,15,16)
InChIKeyODYPZFIOPQQBRN-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.34
Rot. Bonds3

About 3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride

3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride (PubChem CID 65397012) has the molecular formula C12H13ClFNO3S and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride
PubChem CID65397012
Molecular FormulaC12H13ClFNO3S
Molecular Weight305.76 g/mol
Exact Mass305.03
IUPAC Name3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride
SMILESCc1c(C(=O)NC2CCC2)cc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H13ClFNO3S/c1-7-10(12(16)15-9-3-2-4-9)5-8(14)6-11(7)19(13,17)18/h5-6,9H,2-4H2,1H3,(H,15,16)
InChIKeyODYPZFIOPQQBRN-UHFFFAOYSA-N
XLogP2.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65373979
3-(cyclohexylcarbamoyl)-2,5-difluorobenzenesulfonyl chloride
CID 65366757
2-bromo-3-(cyclopentylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65367953
5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367157
cyclohexyl 3-chlorosulfonyl-5-fluoro-2-methylbenzoate
CID 65398293
3-fluoro-2-methyl-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65370571
2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367755
5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367549
3-(azepane-1-carbonyl)-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65367533
3-(cyclobutylcarbamoyl)-2-fluoro-5-nitrobenzenesulfonyl chloride
CID 65397013
2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367352
N-cyclohexyl-3,4-difluoro-2,5-dimethylbenzamide
CID 17067316

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride (CID 65397012) is 3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride is Cc1c(C(=O)NC2CCC2)cc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride?
The InChIKey is ODYPZFIOPQQBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3S/c1-7-10(12(16)15-9-3-2-4-9)5-8(14)6-11(7)19(13,17)18/h5-6,9H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride?
3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride has a molecular weight of 305.76 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65397012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).