4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide

C14H23FN2O2S — CID 81435959

IUPAC4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)N(C)CC(C)C)cc(C)c1F
InChIInChI=1S/C14H23FN2O2S/c1-10(2)9-17(5)20(18,19)13-6-11(3)14(15)12(7-13)8-16-4/h6-7,10,16H,8-9H2,1-5H3
InChIKeyQIFRSMNEXHKHMW-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.13
Rot. Bonds6

About 4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide

4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 81435959) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID81435959
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC Name4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)N(C)CC(C)C)cc(C)c1F
InChIInChI=1S/C14H23FN2O2S/c1-10(2)9-17(5)20(18,19)13-6-11(3)14(15)12(7-13)8-16-4/h6-7,10,16H,8-9H2,1-5H3
InChIKeyQIFRSMNEXHKHMW-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 81428132
4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 81434734
N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 113263718
N-ethyl-4-fluoro-3-methyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 81427608
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 81428139
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077620
4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 81435406
2-fluoro-5-[2-hydroxypropyl(methyl)sulfamoyl]-3-methylbenzoic acid
CID 81435613
N-(1-ethylsulfanylpropan-2-yl)-4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106083397
N-(1-cyclobutylethyl)-4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084928
1-[5-(azepan-1-ylsulfonyl)-2-fluoro-3-methylphenyl]-N-methylmethanamine
CID 81427594
4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106055480

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide (CID 81435959) is 4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)N(C)CC(C)C)cc(C)c1F.
What is the InChIKey of 4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is QIFRSMNEXHKHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-10(2)9-17(5)20(18,19)13-6-11(3)14(15)12(7-13)8-16-4/h6-7,10,16H,8-9H2,1-5H3.
What are the key properties of 4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 81435959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).