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

C14H23FN2O2S — CID 102903343

IUPAC4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(N)cc1F)C(C)C
InChIInChI=1S/C14H23FN2O2S/c1-9(2)12(10(3)4)8-17-20(18,19)14-6-5-11(16)7-13(14)15/h5-7,9-10,12,17H,8,16H2,1-4H3
InChIKeyZYYVRHHXPVDAJO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.61
Rot. Bonds6

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

4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (PubChem CID 102903343) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
PubChem CID102903343
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC Name4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(N)cc1F)C(C)C
InChIInChI=1S/C14H23FN2O2S/c1-9(2)12(10(3)4)8-17-20(18,19)14-6-5-11(16)7-13(14)15/h5-7,9-10,12,17H,8,16H2,1-4H3
InChIKeyZYYVRHHXPVDAJO-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

4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907724
4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 113474881
2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903293
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294173
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755068
2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907709
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 61109845

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (CID 102903343) is 4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is CC(C)C(CNS(=O)(=O)c1ccc(N)cc1F)C(C)C.
What is the InChIKey of 4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The InChIKey is ZYYVRHHXPVDAJO-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(16)7-13(14)15/h5-7,9-10,12,17H,8,16H2,1-4H3.
What are the key properties of 4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
4-amino-2-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 4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 102903343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).