1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide

C12H16FNO3S — CID 27210993

IUPAC1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NC[C@@H]1CCCO1
InChIInChI=1S/C12H16FNO3S/c13-11-5-3-10(4-6-11)9-18(15,16)14-8-12-2-1-7-17-12/h3-6,12,14H,1-2,7-9H2/t12-/m0/s1
InChIKeyFCJUSKNXBYIYBS-LBPRGKRZSA-N
MW273.33 g/mol
LogP1.42
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide (PubChem CID 27210993) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
PubChem CID27210993
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NC[C@@H]1CCCO1
InChIInChI=1S/C12H16FNO3S/c13-11-5-3-10(4-6-11)9-18(15,16)14-8-12-2-1-7-17-12/h3-6,12,14H,1-2,7-9H2/t12-/m0/s1
InChIKeyFCJUSKNXBYIYBS-LBPRGKRZSA-N
XLogP1.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Isobutyl-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2943101
2-methyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 11839503
4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3113401
1-(4-chlorophenyl)-N-(tetrahydro-2-furanylmethyl)methanesulfonamide
CID 2973451
2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 4433026
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 2998541
3-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3686380
(Oxolan-2-ylmethyl)[benzylsulfonyl]amine
CID 2853608
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide
CID 743627
1-(4-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)methanesulfonamide
CID 17741064
1-(2-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)methanesulfonamide
CID 17741238
1-(2-chloro-6-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)methanesulfonamide
CID 17741391

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide (CID 27210993) is 1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NC[C@@H]1CCCO1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide?
The InChIKey is FCJUSKNXBYIYBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-11-5-3-10(4-6-11)9-18(15,16)14-8-12-2-1-7-17-12/h3-6,12,14H,1-2,7-9H2/t12-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 27210993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).