4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H18FNO3S — CID 54371231

IUPAC4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c14-11-4-6-13(7-5-11)19(17,18)15-9-10-2-1-3-12(16)8-10/h4-7,10,12,15-16H,1-3,8-9H2
InChIKeyUTIXWBKBSDHPTG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.66
Rot. Bonds4

About 4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 54371231) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID54371231
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c14-11-4-6-13(7-5-11)19(17,18)15-9-10-2-1-3-12(16)8-10/h4-7,10,12,15-16H,1-3,8-9H2
InChIKeyUTIXWBKBSDHPTG-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 54371231) is 4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCCC(O)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is UTIXWBKBSDHPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c14-11-4-6-13(7-5-11)19(17,18)15-9-10-2-1-3-12(16)8-10/h4-7,10,12,15-16H,1-3,8-9H2.
What are the key properties of 4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 54371231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).