2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride

C13H15ClFNO3S — CID 63957017

IUPAC2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
SMILESCCN(CC1CC1)C(=O)c1cc(F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C13H15ClFNO3S/c1-2-16(8-9-3-4-9)13(17)11-7-10(15)5-6-12(11)20(14,18)19/h5-7,9H,2-4,8H2,1H3
InChIKeyVHWRXLSJFWSLNC-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.63
Rot. Bonds5

About 2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride

2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride (PubChem CID 63957017) has the molecular formula C13H15ClFNO3S and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
PubChem CID63957017
Molecular FormulaC13H15ClFNO3S
Molecular Weight319.79 g/mol
Exact Mass319.04
IUPAC Name2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
SMILESCCN(CC1CC1)C(=O)c1cc(F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C13H15ClFNO3S/c1-2-16(8-9-3-4-9)13(17)11-7-10(15)5-6-12(11)20(14,18)19/h5-7,9H,2-4,8H2,1H3
InChIKeyVHWRXLSJFWSLNC-UHFFFAOYSA-N
XLogP2.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 62861010
5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride
CID 65397254
5-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]-2-fluorobenzenesulfonyl chloride
CID 65396485
N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 63954339
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-hydroxybenzamide
CID 107399082
4-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65397831
4-fluoro-2-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 60875056
N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 107398303
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
CID 65395912
3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65371849
5-[cyclopropylmethyl(ethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367480

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride (CID 63957017) is 2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride is CCN(CC1CC1)C(=O)c1cc(F)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
The InChIKey is VHWRXLSJFWSLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO3S/c1-2-16(8-9-3-4-9)13(17)11-7-10(15)5-6-12(11)20(14,18)19/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride has a molecular weight of 319.79 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 63957017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).