N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide

C11H16FNO2S — CID 81366537

IUPACN-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C11H16FNO2S/c1-8(2)16(14,15)13-9(3)10-5-4-6-11(12)7-10/h4-9,13H,1-3H3/t9-/m1/s1
InChIKeyPIAWBCPTYQRSGL-SECBINFHSA-N
MW245.32 g/mol
LogP2.21
Rot. Bonds4

About N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide

N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide (PubChem CID 81366537) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
PubChem CID81366537
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C11H16FNO2S/c1-8(2)16(14,15)13-9(3)10-5-4-6-11(12)7-10/h4-9,13H,1-3H3/t9-/m1/s1
InChIKeyPIAWBCPTYQRSGL-SECBINFHSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid
CID 54964068
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
3-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 107858748
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
CID 107858739
1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 106000348
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 81369924
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide (CID 81366537) is N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H](C)c1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide?
The InChIKey is PIAWBCPTYQRSGL-SECBINFHSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-8(2)16(14,15)13-9(3)10-5-4-6-11(12)7-10/h4-9,13H,1-3H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide?
N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide has a molecular weight of 245.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 81366537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).