2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide

C16H16FNO2S — CID 3325789

IUPAC2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCc2ccccc21)c1ccccc1F
InChIInChI=1S/C16H16FNO2S/c17-14-9-3-4-11-16(14)21(19,20)18-15-10-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-9,11,15,18H,5,7,10H2
InChIKeyPVDOMPLBCMJSNP-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.18
Rot. Bonds3

About 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide

2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 3325789) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID3325789
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCc2ccccc21)c1ccccc1F
InChIInChI=1S/C16H16FNO2S/c17-14-9-3-4-11-16(14)21(19,20)18-15-10-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-9,11,15,18H,5,7,10H2
InChIKeyPVDOMPLBCMJSNP-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94013011
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55581388
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 60639849
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 40597380
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 120722427
4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43876005
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-sulfonamide
CID 102692407
N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 55598185

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 3325789) is 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide is O=S(=O)(NC1CCCc2ccccc21)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is PVDOMPLBCMJSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-14-9-3-4-11-16(14)21(19,20)18-15-10-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-9,11,15,18H,5,7,10H2.
What are the key properties of 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 3325789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).