2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide

C13H18FNO3S — CID 104953272

IUPAC2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C13H18FNO3S/c1-9-6-7-10(14)13(8-9)19(17,18)15-11-4-2-3-5-12(11)16/h6-8,11-12,15-16H,2-5H2,1H3/t11-,12-/m0/s1
InChIKeyNNCVZVUBIVVMNT-RYUDHWBXSA-N
MW287.36 g/mol
LogP1.72
Rot. Bonds3

About 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide

2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide (PubChem CID 104953272) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
PubChem CID104953272
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C13H18FNO3S/c1-9-6-7-10(14)13(8-9)19(17,18)15-11-4-2-3-5-12(11)16/h6-8,11-12,15-16H,2-5H2,1H3/t11-,12-/m0/s1
InChIKeyNNCVZVUBIVVMNT-RYUDHWBXSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630429
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623
2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104953223
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218
N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide
CID 94415069
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 114297356

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide (CID 104953272) is 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide?
The InChIKey is NNCVZVUBIVVMNT-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-9-6-7-10(14)13(8-9)19(17,18)15-11-4-2-3-5-12(11)16/h6-8,11-12,15-16H,2-5H2,1H3/t11-,12-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide?
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 104953272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).