N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide

C17H17FN2O3S — CID 71982150

IUPACN-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccccc1F)c1nc2ccccc2o1
InChIInChI=1S/C17H17FN2O3S/c1-12(17-20-15-8-4-5-9-16(15)23-17)10-19-24(21,22)11-13-6-2-3-7-14(13)18/h2-9,12,19H,10-11H2,1H3
InChIKeyMKCJMFYFDUDBLY-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide

N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 71982150) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID71982150
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccccc1F)c1nc2ccccc2o1
InChIInChI=1S/C17H17FN2O3S/c1-12(17-20-15-8-4-5-9-16(15)23-17)10-19-24(21,22)11-13-6-2-3-7-14(13)18/h2-9,12,19H,10-11H2,1H3
InChIKeyMKCJMFYFDUDBLY-UHFFFAOYSA-N
XLogP3.19
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824821
1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide
CID 97087544
1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 100567034
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 95309064
1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide
CID 9187183
N-propan-2-yl-1,3-benzoxazole-2-sulfonamide
CID 71633138
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 16890483
2-[[(2S)-2-(1,3-benzoxazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 95971400
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol
CID 174575331
2-[(2-fluorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21148291

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide (CID 71982150) is N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide is CC(CNS(=O)(=O)Cc1ccccc1F)c1nc2ccccc2o1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is MKCJMFYFDUDBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-12(17-20-15-8-4-5-9-16(15)23-17)10-19-24(21,22)11-13-6-2-3-7-14(13)18/h2-9,12,19H,10-11H2,1H3.
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 71982150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).