N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide

C10H12FNO2S — CID 7154370

IUPACN-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2F)cc1
InChIInChI=1S/C10H12FNO2S/c1-7-2-4-8(5-3-7)15(13,14)12-10-6-9(10)11/h2-5,9-10,12H,6H2,1H3/t9-,10-/m0/s1
InChIKeyYLBSKDWNNUCKSV-UWVGGRQHSA-N
MW229.28 g/mol
LogP1.38
Rot. Bonds3

About N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide

N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide (PubChem CID 7154370) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
PubChem CID7154370
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC NameN-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2F)cc1
InChIInChI=1S/C10H12FNO2S/c1-7-2-4-8(5-3-7)15(13,14)12-10-6-9(10)11/h2-5,9-10,12H,6H2,1H3/t9-,10-/m0/s1
InChIKeyYLBSKDWNNUCKSV-UWVGGRQHSA-N
XLogP1.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-4-methylbenzenesulfonamide
CID 5247563
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
CID 164677819
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide (CID 7154370) is N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2F)cc1.
What is the InChIKey of N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide?
The InChIKey is YLBSKDWNNUCKSV-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-7-2-4-8(5-3-7)15(13,14)12-10-6-9(10)11/h2-5,9-10,12H,6H2,1H3/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide?
N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide has a molecular weight of 229.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 7154370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).