2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

C14H23FN2O2S — CID 102903293

IUPAC2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(F)cc1N)C(C)C
InChIInChI=1S/C14H23FN2O2S/c1-9(2)12(10(3)4)8-17-20(18,19)14-6-5-11(15)7-13(14)16/h5-7,9-10,12,17H,8,16H2,1-4H3
InChIKeyVLTYYSHVAOJCRY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.61
Rot. Bonds6

About 2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (PubChem CID 102903293) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
PubChem CID102903293
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC Name2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(F)cc1N)C(C)C
InChIInChI=1S/C14H23FN2O2S/c1-9(2)12(10(3)4)8-17-20(18,19)14-6-5-11(15)7-13(14)16/h5-7,9-10,12,17H,8,16H2,1-4H3
InChIKeyVLTYYSHVAOJCRY-UHFFFAOYSA-N
XLogP2.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.61
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-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903343
5-fluoro-2-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102919985
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 103460021
4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907724
2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61108154
2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 106153098
2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 61111572
2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463613
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (CID 102903293) is 2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is CC(C)C(CNS(=O)(=O)c1ccc(F)cc1N)C(C)C.
What is the InChIKey of 2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The InChIKey is VLTYYSHVAOJCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-9(2)12(10(3)4)8-17-20(18,19)14-6-5-11(15)7-13(14)16/h5-7,9-10,12,17H,8,16H2,1-4H3.
What are the key properties of 2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 2.61, 6 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-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 102903293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).