N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

C14H20FNO3S — CID 604862

IUPACN-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(CCO)C1CCCCC1
InChIInChI=1S/C14H20FNO3S/c15-12-6-8-14(9-7-12)20(18,19)16(10-11-17)13-4-2-1-3-5-13/h6-9,13,17H,1-5,10-11H2
InChIKeyNESGKIVPMOHEAU-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.14
Rot. Bonds5

About N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 604862) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID604862
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(CCO)C1CCCCC1
InChIInChI=1S/C14H20FNO3S/c15-12-6-8-14(9-7-12)20(18,19)16(10-11-17)13-4-2-1-3-5-13/h6-9,13,17H,1-5,10-11H2
InChIKeyNESGKIVPMOHEAU-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 604862) is N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is NESGKIVPMOHEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c15-12-6-8-14(9-7-12)20(18,19)16(10-11-17)13-4-2-1-3-5-13/h6-9,13,17H,1-5,10-11H2.
What are the key properties of N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 604862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).