2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide

C15H17FN2O2S — CID 63012952

IUPAC2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11(10-12-6-3-2-4-7-12)18-21(19,20)15-13(16)8-5-9-14(15)17/h2-9,11,18H,10,17H2,1H3
InChIKeyBNZZMKPPWPYHNV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.32
Rot. Bonds5

About 2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide

2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 63012952) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
PubChem CID63012952
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11(10-12-6-3-2-4-7-12)18-21(19,20)15-13(16)8-5-9-14(15)17/h2-9,11,18H,10,17H2,1H3
InChIKeyBNZZMKPPWPYHNV-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012265
2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602215
1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63010726
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
CID 62406259
2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106533
2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
3-fluoro-2-propan-2-ylsulfonylaniline
CID 130526460
1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63012782
2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 63945031
1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 83085970

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide (CID 63012952) is 2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide is CC(Cc1ccccc1)NS(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is BNZZMKPPWPYHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11(10-12-6-3-2-4-7-12)18-21(19,20)15-13(16)8-5-9-14(15)17/h2-9,11,18H,10,17H2,1H3.
What are the key properties of 2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide?
2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63012952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).