N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide

C11H16FNO3S — CID 114254960

IUPACN-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)CCCCO)c1F
InChIInChI=1S/C11H16FNO3S/c1-9-5-4-6-10(11(9)12)13-17(15,16)8-3-2-7-14/h4-6,13-14H,2-3,7-8H2,1H3
InChIKeyILVIFUKCGNIRMX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.65
Rot. Bonds6

About N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide

N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide (PubChem CID 114254960) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide
PubChem CID114254960
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC NameN-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)CCCCO)c1F
InChIInChI=1S/C11H16FNO3S/c1-9-5-4-6-10(11(9)12)13-17(15,16)8-3-2-7-14/h4-6,13-14H,2-3,7-8H2,1H3
InChIKeyILVIFUKCGNIRMX-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide
CID 803284
N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 6465056
2-hydroxy-N-(4-methylphenyl)cyclohexane-1-sulfonamide
CID 49804067
N-(4-fluoro-2-methylphenyl)-2-hydroxycyclohexane-1-sulfonamide
CID 49804366
2-hydroxy-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-sulfonamide
CID 49804372
N-[2,5-bis(trifluoromethyl)phenyl]-2-hydroxycyclohexane-1-sulfonamide
CID 49804666
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxycyclohexane-1-sulfonamide
CID 49804667
N-(4-fluoro-3-methylphenyl)-1-(oxan-2-yl)methanesulfonamide
CID 72003882
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
1-(3-aminophenyl)-N-tert-butylmethanesulfonamide
CID 43255629
N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 5189076
3-Aminobenzenemethanesulfonic acid 2,2,2-trifluoroethyl ester
CID 46221687

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide?
The IUPAC name of N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide (CID 114254960) is N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide?
The canonical SMILES for N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide is Cc1cccc(NS(=O)(=O)CCCCO)c1F.
What is the InChIKey of N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide?
The InChIKey is ILVIFUKCGNIRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-9-5-4-6-10(11(9)12)13-17(15,16)8-3-2-7-14/h4-6,13-14H,2-3,7-8H2,1H3.
What are the key properties of N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide?
N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 114254960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).