N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide

C12H14FNO3S — CID 84586316

IUPACN-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)CC2CC2)c(F)c1
InChIInChI=1S/C12H14FNO3S/c1-8-2-5-10(11(13)6-8)12(15)14-18(16,17)7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,15)
InChIKeyWODJMIZIFWLYFY-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.60
Rot. Bonds4

About N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide

N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide (PubChem CID 84586316) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide
PubChem CID84586316
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC NameN-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)CC2CC2)c(F)c1
InChIInChI=1S/C12H14FNO3S/c1-8-2-5-10(11(13)6-8)12(15)14-18(16,17)7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,15)
InChIKeyWODJMIZIFWLYFY-UHFFFAOYSA-N
XLogP1.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide
CID 75494405
3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one
CID 114978262
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
2-bromo-N-(cyclopropylmethylsulfonyl)benzamide
CID 129188643
ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
CID 144540979
2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride
CID 84586603
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 79776956
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
N-(cyclopropylmethylsulfonyl)-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluoro-5-methylbenzamide
CID 126732900
N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide
CID 146042229

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide (CID 84586316) is N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NS(=O)(=O)CC2CC2)c(F)c1.
What is the InChIKey of N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide?
The InChIKey is WODJMIZIFWLYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c1-8-2-5-10(11(13)6-8)12(15)14-18(16,17)7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,15).
What are the key properties of N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide?
N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide has a molecular weight of 271.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 84586316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).