3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide

C13H19FN2O3S — CID 64911459

IUPAC3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCC2CCCCC2O)c(F)c1
InChIInChI=1S/C13H19FN2O3S/c14-11-7-10(20(15,18)19)5-6-12(11)16-8-9-3-1-2-4-13(9)17/h5-7,9,13,16-17H,1-4,8H2,(H2,15,18,19)
InChIKeyIZDMBGGWMBQHST-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.44
Rot. Bonds4

About 3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide

3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide (PubChem CID 64911459) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
PubChem CID64911459
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCC2CCCCC2O)c(F)c1
InChIInChI=1S/C13H19FN2O3S/c14-11-7-10(20(15,18)19)5-6-12(11)16-8-9-3-1-2-4-13(9)17/h5-7,9,13,16-17H,1-4,8H2,(H2,15,18,19)
InChIKeyIZDMBGGWMBQHST-UHFFFAOYSA-N
XLogP1.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide
CID 106000014
3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65110927
4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
CID 106738233
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide
CID 107849521
N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788
2-[(2-amino-4-nitroanilino)methyl]cyclohexan-1-ol
CID 64927648
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetamide
CID 106239840
4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide
CID 83114460
2-[(2-amino-4-iodoanilino)methyl]cyclohexan-1-ol
CID 66082322

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide (CID 64911459) is 3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCC2CCCCC2O)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide?
The InChIKey is IZDMBGGWMBQHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c14-11-7-10(20(15,18)19)5-6-12(11)16-8-9-3-1-2-4-13(9)17/h5-7,9,13,16-17H,1-4,8H2,(H2,15,18,19).
What are the key properties of 3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide?
3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 64911459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).