4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide

C10H15FN2O2S — CID 82843782

IUPAC4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H15FN2O2S/c1-3-6-13(2)16(14,15)8-4-5-10(12)9(11)7-8/h4-5,7H,3,6,12H2,1-2H3
InChIKeyIXFWUBULFIVZTO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.44
Rot. Bonds4

About 4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide

4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide (PubChem CID 82843782) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide
PubChem CID82843782
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H15FN2O2S/c1-3-6-13(2)16(14,15)8-4-5-10(12)9(11)7-8/h4-5,7H,3,6,12H2,1-2H3
InChIKeyIXFWUBULFIVZTO-UHFFFAOYSA-N
XLogP1.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 63287989
4-amino-3-fluoro-N-propyl-N-prop-2-ynylbenzenesulfonamide
CID 82843671
4-amino-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 82844261
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82845498
N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
CID 110758081
4-amino-3-fluoro-N,N-bis(trideuteriomethyl)benzenesulfonamide
CID 172634820
4-amino-3-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 82844189
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259
4-amino-3-fluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 82844114
4-amino-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 82843657
4-amino-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 82843648
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide (CID 82843782) is 4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide is CCCN(C)S(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide?
The InChIKey is IXFWUBULFIVZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-3-6-13(2)16(14,15)8-4-5-10(12)9(11)7-8/h4-5,7H,3,6,12H2,1-2H3.
What are the key properties of 4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide?
4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide has a molecular weight of 246.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 82843782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).