2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C11H15FN2O2S — CID 113463613

IUPAC2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1CC1CNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O2S/c1-7-4-8(7)6-14-17(15,16)11-3-2-9(12)5-10(11)13/h2-3,5,7-8,14H,4,6,13H2,1H3
InChIKeyHHHVNTZPNQKYRF-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds4

About 2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 113463613) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID113463613
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1CC1CNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O2S/c1-7-4-8(7)6-14-17(15,16)11-3-2-9(12)5-10(11)13/h2-3,5,7-8,14H,4,6,13H2,1H3
InChIKeyHHHVNTZPNQKYRF-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
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-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 115597756
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102920994
2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115559
2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903293
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 103460021
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
2-bromo-4-fluoro-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 63420657
2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 61111572
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106369275
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416435

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 113463613) is 2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is CC1CC1CNS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is HHHVNTZPNQKYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-7-4-8(7)6-14-17(15,16)11-3-2-9(12)5-10(11)13/h2-3,5,7-8,14H,4,6,13H2,1H3.
What are the key properties of 2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 258.32 g/mol, XLogP of 1.34, 4 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-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 113463613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).