N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide

C12H16FNO2S — CID 93042358

IUPACN-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESC[C@H](C1CC1)N(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO2S/c1-9(10-7-8-10)14(2)17(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyLLZPJSOJHUAVSA-SECBINFHSA-N
MW257.33 g/mol
LogP2.24
Rot. Bonds4

About N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide

N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 93042358) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide
PubChem CID93042358
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESC[C@H](C1CC1)N(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO2S/c1-9(10-7-8-10)14(2)17(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyLLZPJSOJHUAVSA-SECBINFHSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 95588566
2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 42942284
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 97061108
4-[1-cyclopropylethyl(methyl)sulfamoyl]-3-fluorobenzoic acid
CID 79187636
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791377
4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 116529347
4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 134018131
N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326745
N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide
CID 63397262
N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide
CID 62145589
2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide
CID 143860184

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide (CID 93042358) is N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide is C[C@H](C1CC1)N(C)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is LLZPJSOJHUAVSA-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-9(10-7-8-10)14(2)17(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide?
N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 257.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 93042358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).