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

C14H23FN2O2S — CID 61108154

IUPAC2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H23FN2O2S/c1-10(2)5-4-6-11(3)17-20(18,19)14-8-7-12(15)9-13(14)16/h7-11,17H,4-6,16H2,1-3H3
InChIKeyZAHROSLHHJWPIC-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.90
Rot. Bonds7

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

2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 61108154) has the molecular formula C14H23FN2O2S and a molecular weight of 302.41 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
PubChem CID61108154
Molecular FormulaC14H23FN2O2S
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC Name2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H23FN2O2S/c1-10(2)5-4-6-11(3)17-20(18,19)14-8-7-12(15)9-13(14)16/h7-11,17H,4-6,16H2,1-3H3
InChIKeyZAHROSLHHJWPIC-UHFFFAOYSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.90
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-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61110431
3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 107343293
2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 62196910
2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903293
2-amino-4-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 64900647
4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 106996805
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
2-amino-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62153139
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide (CID 61108154) is 2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide is CC(C)CCCC(C)NS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is ZAHROSLHHJWPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-10(2)5-4-6-11(3)17-20(18,19)14-8-7-12(15)9-13(14)16/h7-11,17H,4-6,16H2,1-3H3.
What are the key properties of 2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 302.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61108154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).