N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide

C10H14FNO3S — CID 94689041

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide
SMILESO=S(=O)(CCCO)NCc1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c11-10-4-2-9(3-5-10)8-12-16(14,15)7-1-6-13/h2-5,12-13H,1,6-8H2
InChIKeyLZKMKXRVGDUWCD-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.63
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide

N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide (PubChem CID 94689041) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide
PubChem CID94689041
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide
SMILESO=S(=O)(CCCO)NCc1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c11-10-4-2-9(3-5-10)8-12-16(14,15)7-1-6-13/h2-5,12-13H,1,6-8H2
InChIKeyLZKMKXRVGDUWCD-UHFFFAOYSA-N
XLogP0.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 51108789
2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide
CID 146075739
3-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
CID 107232812
N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54973798
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79578689
methyl 4-[[2-(4-fluorophenyl)sulfonylethylsulfonylamino]methyl]benzoate
CID 71866481
3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide
CID 16884247
4-[(3-methoxypropylsulfonylamino)methyl]benzoic acid
CID 63289850
3-[(4-fluorophenyl)methylamino]propane-1-sulfonic acid
CID 11673206
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide (CID 94689041) is N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide is O=S(=O)(CCCO)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide?
The InChIKey is LZKMKXRVGDUWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c11-10-4-2-9(3-5-10)8-12-16(14,15)7-1-6-13/h2-5,12-13H,1,6-8H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide?
N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide has a molecular weight of 247.29 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide is sourced from PubChem (CID 94689041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).