2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide

C11H17FN2O3S — CID 64602215

IUPAC2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C11H17FN2O3S/c1-8(6-7-17-2)14-18(15,16)11-9(12)4-3-5-10(11)13/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeyRACRJPRVFKPECG-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.11
Rot. Bonds6

About 2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide

2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 64602215) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide
PubChem CID64602215
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C11H17FN2O3S/c1-8(6-7-17-2)14-18(15,16)11-9(12)4-3-5-10(11)13/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeyRACRJPRVFKPECG-UHFFFAOYSA-N
XLogP1.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345
2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012952
3-amino-4-fluoro-N-(4-methoxybutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 107325879
2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106533
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64601232
2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide
CID 62734262
2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096
5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 65206608
2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
CID 62406259
2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide
CID 3710669
2-hydrazinyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605089

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide (CID 64602215) is 2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide is COCCC(C)NS(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is RACRJPRVFKPECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-8(6-7-17-2)14-18(15,16)11-9(12)4-3-5-10(11)13/h3-5,8,14H,6-7,13H2,1-2H3.
What are the key properties of 2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide?
2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 64602215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).