2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide

C11H11ClFNO3S — CID 75494405

IUPAC2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide
SMILESO=C(NS(=O)(=O)CC1CC1)c1cccc(F)c1Cl
InChIInChI=1S/C11H11ClFNO3S/c12-10-8(2-1-3-9(10)13)11(15)14-18(16,17)6-7-4-5-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyVGLIWIATHUMYLQ-UHFFFAOYSA-N
MW291.73 g/mol
LogP1.95
Rot. Bonds4

About 2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide

2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide (PubChem CID 75494405) has the molecular formula C11H11ClFNO3S and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide
PubChem CID75494405
Molecular FormulaC11H11ClFNO3S
Molecular Weight291.73 g/mol
Exact Mass291.01
IUPAC Name2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide
SMILESO=C(NS(=O)(=O)CC1CC1)c1cccc(F)c1Cl
InChIInChI=1S/C11H11ClFNO3S/c12-10-8(2-1-3-9(10)13)11(15)14-18(16,17)6-7-4-5-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyVGLIWIATHUMYLQ-UHFFFAOYSA-N
XLogP1.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(cyclopropylmethylsulfonyl)benzamide
CID 129188643
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide
CID 84586316
N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide
CID 114147208
N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide
CID 114312152
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
2-(cyclohexylmethylsulfonylamino)-3-fluorobenzoic acid
CID 81499032
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
3-chloro-2-(cyclopropylmethylsulfonylamino)benzoic acid
CID 104933689
N-[2-(bromomethyl)cyclohexyl]-2-chloro-3-fluorobenzamide
CID 106367046
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide?
The IUPAC name of 2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide (CID 75494405) is 2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide is O=C(NS(=O)(=O)CC1CC1)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide?
The InChIKey is VGLIWIATHUMYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3S/c12-10-8(2-1-3-9(10)13)11(15)14-18(16,17)6-7-4-5-7/h1-3,7H,4-6H2,(H,14,15).
What are the key properties of 2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide?
2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide has a molecular weight of 291.73 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide is sourced from PubChem (CID 75494405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).