2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide

C13H17F2NO3S — CID 97244861

IUPAC2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)c(F)cc1F
InChIInChI=1S/C13H17F2NO3S/c1-8-5-13(11(15)6-10(8)14)20(18,19)16-7-9-3-2-4-12(9)17/h5-6,9,12,16-17H,2-4,7H2,1H3/t9-,12-/m0/s1
InChIKeyCPNWQXUIUKEFPX-CABZTGNLSA-N
MW305.35 g/mol
LogP1.71
Rot. Bonds4

About 2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide

2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide (PubChem CID 97244861) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
PubChem CID97244861
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)c(F)cc1F
InChIInChI=1S/C13H17F2NO3S/c1-8-5-13(11(15)6-10(8)14)20(18,19)16-7-9-3-2-4-12(9)17/h5-6,9,12,16-17H,2-4,7H2,1H3/t9-,12-/m0/s1
InChIKeyCPNWQXUIUKEFPX-CABZTGNLSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336
3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244846
3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide
CID 114379842
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 97244870
3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103051627
2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913911
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide
CID 79988854
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide
CID 97244895
2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide
CID 167757534

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide (CID 97244861) is 2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide?
The InChIKey is CPNWQXUIUKEFPX-CABZTGNLSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-8-5-13(11(15)6-10(8)14)20(18,19)16-7-9-3-2-4-12(9)17/h5-6,9,12,16-17H,2-4,7H2,1H3/t9-,12-/m0/s1.
What are the key properties of 2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide?
2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide has a molecular weight of 305.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 97244861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).