2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride

C13H15ClFNO4S — CID 82749001

IUPAC2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
SMILESCc1cc(C(=O)N(C)C2CCOC2)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C13H15ClFNO4S/c1-8-5-9(6-11(12(8)15)21(14,18)19)13(17)16(2)10-3-4-20-7-10/h5-6,10H,3-4,7H2,1-2H3
InChIKeyBVJZVROLYVDWEB-UHFFFAOYSA-N
MW335.78 g/mol
LogP1.92
Rot. Bonds3

About 2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride

2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride (PubChem CID 82749001) has the molecular formula C13H15ClFNO4S and a molecular weight of 335.78 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
PubChem CID82749001
Molecular FormulaC13H15ClFNO4S
Molecular Weight335.78 g/mol
Exact Mass335.04
IUPAC Name2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
SMILESCc1cc(C(=O)N(C)C2CCOC2)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C13H15ClFNO4S/c1-8-5-9(6-11(12(8)15)21(14,18)19)13(17)16(2)10-3-4-20-7-10/h5-6,10H,3-4,7H2,1-2H3
InChIKeyBVJZVROLYVDWEB-UHFFFAOYSA-N
XLogP1.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82749000
2-bromo-3-chloro-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82748217
4-bromo-3-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82744577
4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766
5-[ethyl(propan-2-yl)carbamoyl]-2-fluoro-3-methylbenzenesulfonyl chloride
CID 65371075
4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 55160806
2,3-dimethyl-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716250
2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide
CID 82749561
2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 82748225
2-fluoro-N-methyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82744457
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 104929947

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride (CID 82749001) is 2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride is Cc1cc(C(=O)N(C)C2CCOC2)cc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is BVJZVROLYVDWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO4S/c1-8-5-9(6-11(12(8)15)21(14,18)19)13(17)16(2)10-3-4-20-7-10/h5-6,10H,3-4,7H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride?
2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 335.78 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 82749001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).