N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide

C12H18FNO3S — CID 110665794

IUPACN-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-2-9-18(16,17)14-8-7-12(15)10-3-5-11(13)6-4-10/h3-6,12,14-15H,2,7-9H2,1H3
InChIKeyOJAQAOWTDNPAHF-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.58
Rot. Bonds7

About N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide

N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide (PubChem CID 110665794) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide
PubChem CID110665794
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC NameN-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-2-9-18(16,17)14-8-7-12(15)10-3-5-11(13)6-4-10/h3-6,12,14-15H,2,7-9H2,1H3
InChIKeyOJAQAOWTDNPAHF-UHFFFAOYSA-N
XLogP1.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
CID 62606467
N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
CID 90523800
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110665841
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
CID 19892143
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110665818
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97331122
3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol
CID 19892138

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide (CID 110665794) is N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCC(O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide?
The InChIKey is OJAQAOWTDNPAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-2-9-18(16,17)14-8-7-12(15)10-3-5-11(13)6-4-10/h3-6,12,14-15H,2,7-9H2,1H3.
What are the key properties of N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide?
N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide has a molecular weight of 275.34 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide is sourced from PubChem (CID 110665794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).