4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide

C13H18FNO3S — CID 62519723

IUPAC4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c14-11-4-6-12(7-5-11)19(17,18)15-13(10-16)8-2-1-3-9-13/h4-7,15-16H,1-3,8-10H2
InChIKeyVDAFDCMGNFVLLN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.80
Rot. Bonds4

About 4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide

4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide (PubChem CID 62519723) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
PubChem CID62519723
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c14-11-4-6-12(7-5-11)19(17,18)15-13(10-16)8-2-1-3-9-13/h4-7,15-16H,1-3,8-10H2
InChIKeyVDAFDCMGNFVLLN-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62527592
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 65481622
4-N-[1-(hydroxymethyl)cyclobutyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115903007
4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzamide
CID 62522485
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 62521621
N-[1-(hydroxymethyl)cyclopentyl]-4-propylbenzenesulfonamide
CID 62520894
2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62522204
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide
CID 62519994
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
4-N-[1-(hydroxymethyl)cyclopropyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115902832
3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62521842

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide (CID 62519723) is 4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1(CO)CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is VDAFDCMGNFVLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c14-11-4-6-12(7-5-11)19(17,18)15-13(10-16)8-2-1-3-9-13/h4-7,15-16H,1-3,8-10H2.
What are the key properties of 4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 62519723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).