3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide

C13H18FNO3S — CID 97244846

IUPAC3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C13H18FNO3S/c1-9-5-11(14)7-12(6-9)19(17,18)15-8-10-3-2-4-13(10)16/h5-7,10,13,15-16H,2-4,8H2,1H3/t10-,13+/m1/s1
InChIKeyZFKNVPRMSMXQGZ-MFKMUULPSA-N
MW287.36 g/mol
LogP1.57
Rot. Bonds4

About 3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide

3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide (PubChem CID 97244846) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
PubChem CID97244846
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C13H18FNO3S/c1-9-5-11(14)7-12(6-9)19(17,18)15-8-10-3-2-4-13(10)16/h5-7,10,13,15-16H,2-4,8H2,1H3/t10-,13+/m1/s1
InChIKeyZFKNVPRMSMXQGZ-MFKMUULPSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244861
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 97244870
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913911
3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide
CID 97244901
3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106546349
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336
3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119347
3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide
CID 114379842
N-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 98853358

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide (CID 97244846) is 3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide is Cc1cc(F)cc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)c1.
What is the InChIKey of 3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide?
The InChIKey is ZFKNVPRMSMXQGZ-MFKMUULPSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-9-5-11(14)7-12(6-9)19(17,18)15-8-10-3-2-4-13(10)16/h5-7,10,13,15-16H,2-4,8H2,1H3/t10-,13+/m1/s1.
What are the key properties of 3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide?
3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 97244846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).