4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide

C12H17FN2O3S — CID 107213611

IUPAC4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1F
InChIInChI=1S/C12H17FN2O3S/c13-9-7-8(5-6-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h5-7,11-12,15-16H,1-4,14H2/t11-,12-/m1/s1
InChIKeyKKFWPUHOAPEXLO-VXGBXAGGSA-N
MW288.34 g/mol
LogP0.99
Rot. Bonds3

About 4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide

4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide (PubChem CID 107213611) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
PubChem CID107213611
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1F
InChIInChI=1S/C12H17FN2O3S/c13-9-7-8(5-6-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h5-7,11-12,15-16H,1-4,14H2/t11-,12-/m1/s1
InChIKeyKKFWPUHOAPEXLO-VXGBXAGGSA-N
XLogP0.99
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 82844106
3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 115329229
5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563
4-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzenesulfonamide
CID 82845893
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62366150
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
N-(2-hydroxycyclohexyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 62359610
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
4-hydrazinyl-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62360200
N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
CID 63258756

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide (CID 107213611) is 4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The InChIKey is KKFWPUHOAPEXLO-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-9-7-8(5-6-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h5-7,11-12,15-16H,1-4,14H2/t11-,12-/m1/s1.
What are the key properties of 4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide is sourced from PubChem (CID 107213611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).