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

C12H18FNO2S — CID 146353198

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-3-4-9-17(15,16)14-10(2)11-7-5-6-8-12(11)13/h5-8,10,14H,3-4,9H2,1-2H3/t10-/m1/s1
InChIKeyPVAVELGCNJFSPL-SNVBAGLBSA-N
MW259.35 g/mol
LogP2.61
Rot. Bonds6

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

N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide (PubChem CID 146353198) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
PubChem CID146353198
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-3-4-9-17(15,16)14-10(2)11-7-5-6-8-12(11)13/h5-8,10,14H,3-4,9H2,1-2H3/t10-/m1/s1
InChIKeyPVAVELGCNJFSPL-SNVBAGLBSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 107858607
1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide
CID 107858602
N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
CID 43298052
N-[1-(2,4-dimethylphenyl)ethyl]butane-1-sulfonamide
CID 22201065
3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877229
3-chloro-N-[1-(2,4-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877148
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
4-chloro-N-[1-(2-chlorophenyl)ethyl]butane-1-sulfonamide
CID 116815054
4-chloro-N-[1-(2,4-difluorophenyl)ethyl]butane-1-sulfonamide
CID 116815561
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
CID 26001989

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide (CID 146353198) is N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@H](C)c1ccccc1F.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
The InChIKey is PVAVELGCNJFSPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-3-4-9-17(15,16)14-10(2)11-7-5-6-8-12(11)13/h5-8,10,14H,3-4,9H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide?
N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide has a molecular weight of 259.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 146353198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).