1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide

C12H17ClFNO3S — CID 109478369

IUPAC1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide
SMILESCCC(O)CCNS(=O)(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO3S/c1-2-10(16)5-6-15-19(17,18)8-9-3-4-12(14)11(13)7-9/h3-4,7,10,15-16H,2,5-6,8H2,1H3
InChIKeyHEMOZLPLLANFKA-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.06
Rot. Bonds7

About 1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide

1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide (PubChem CID 109478369) has the molecular formula C12H17ClFNO3S and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide
PubChem CID109478369
Molecular FormulaC12H17ClFNO3S
Molecular Weight309.79 g/mol
Exact Mass309.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide
SMILESCCC(O)CCNS(=O)(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO3S/c1-2-10(16)5-6-15-19(17,18)8-9-3-4-12(14)11(13)7-9/h3-4,7,10,15-16H,2,5-6,8H2,1H3
InChIKeyHEMOZLPLLANFKA-UHFFFAOYSA-N
XLogP2.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-(2-ethyl-4-hydroxybutyl)methanesulfonamide
CID 109478315
1-(3-chloro-4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 120875993
2-chloro-1-fluoro-4-(methylsulfonylmethyl)benzene
CID 2761444
1-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]methanesulfonamide
CID 75389786
1-[1-(3-chloro-4-fluorophenyl)ethylamino]pentan-3-ol
CID 113262788
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513383
N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780512
(2S)-4-[(3-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 97053093
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
2-chloro-4-(3-chloropentyl)-1-fluorobenzene
CID 103040835
1-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide
CID 97078736
1-(3-chloro-4-fluorophenyl)-3-ethylpentan-2-one
CID 103042772

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide (CID 109478369) is 1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide is CCC(O)CCNS(=O)(=O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide?
The InChIKey is HEMOZLPLLANFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO3S/c1-2-10(16)5-6-15-19(17,18)8-9-3-4-12(14)11(13)7-9/h3-4,7,10,15-16H,2,5-6,8H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide?
1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide has a molecular weight of 309.79 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(3-hydroxypentyl)methanesulfonamide is sourced from PubChem (CID 109478369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).