1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide

C17H18FNO2S — CID 94013011

IUPAC1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C17H18FNO2S/c18-16-10-4-2-7-14(16)12-22(20,21)19-17-11-5-8-13-6-1-3-9-15(13)17/h1-4,6-7,9-10,17,19H,5,8,11-12H2/t17-/m1/s1
InChIKeyRTFPITJGPKTFHD-QGZVFWFLSA-N
MW319.40 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide

1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide (PubChem CID 94013011) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
PubChem CID94013011
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C17H18FNO2S/c18-16-10-4-2-7-14(16)12-22(20,21)19-17-11-5-8-13-6-1-3-9-15(13)17/h1-4,6-7,9-10,17,19H,5,8,11-12H2/t17-/m1/s1
InChIKeyRTFPITJGPKTFHD-QGZVFWFLSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43885248
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43906029
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 90624657

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide (CID 94013011) is 1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide is O=S(=O)(Cc1ccccc1F)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
The InChIKey is RTFPITJGPKTFHD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-16-10-4-2-7-14(16)12-22(20,21)19-17-11-5-8-13-6-1-3-9-15(13)17/h1-4,6-7,9-10,17,19H,5,8,11-12H2/t17-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide?
1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide has a molecular weight of 319.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide is sourced from PubChem (CID 94013011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).