2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride

C13H15ClFNO3S — CID 62861010

IUPAC2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
SMILESCN(CC1CCC1)C(=O)c1cc(F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C13H15ClFNO3S/c1-16(8-9-3-2-4-9)13(17)11-7-10(15)5-6-12(11)20(14,18)19/h5-7,9H,2-4,8H2,1H3
InChIKeyZJCGUUGCLGZZHU-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.63
Rot. Bonds4

About 2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride

2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride (PubChem CID 62861010) has the molecular formula C13H15ClFNO3S and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
PubChem CID62861010
Molecular FormulaC13H15ClFNO3S
Molecular Weight319.79 g/mol
Exact Mass319.04
IUPAC Name2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
SMILESCN(CC1CCC1)C(=O)c1cc(F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C13H15ClFNO3S/c1-16(8-9-3-2-4-9)13(17)11-7-10(15)5-6-12(11)20(14,18)19/h5-7,9H,2-4,8H2,1H3
InChIKeyZJCGUUGCLGZZHU-UHFFFAOYSA-N
XLogP2.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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]-4,5-difluorobenzenesulfonyl chloride
CID 62861182
2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 63957017
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65389043
4-fluoro-2-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 60875056
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
2-bromo-5-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371740
2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride
CID 65398182
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-fluorobenzenesulfonyl chloride
CID 115559845
3-chloro-5-[cyclobutylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100665

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride (CID 62861010) is 2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride is CN(CC1CCC1)C(=O)c1cc(F)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
The InChIKey is ZJCGUUGCLGZZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO3S/c1-16(8-9-3-2-4-9)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-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride has a molecular weight of 319.79 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 62861010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).