N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide

C15H16FNO2S — CID 81349529

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c1-11-5-3-4-6-15(11)20(18,19)17-12(2)13-7-9-14(16)10-8-13/h3-10,12,17H,1-2H3/t12-/m0/s1
InChIKeyQMXQBXXSRXMLRG-LBPRGKRZSA-N
MW293.36 g/mol
LogP3.17
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 81349529) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID81349529
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c1-11-5-3-4-6-15(11)20(18,19)17-12(2)13-7-9-14(16)10-8-13/h3-10,12,17H,1-2H3/t12-/m0/s1
InChIKeyQMXQBXXSRXMLRG-LBPRGKRZSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81397801
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81378158
4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide
CID 58417630
N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 47109825
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide (CID 81349529) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is QMXQBXXSRXMLRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11-5-3-4-6-15(11)20(18,19)17-12(2)13-7-9-14(16)10-8-13/h3-10,12,17H,1-2H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 81349529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).