4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide

C16H15F4NO2S — CID 22774577

IUPAC4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C16H15F4NO2S/c1-9(2)7-10-3-5-11(6-4-10)24(22,23)21-16-14(19)12(17)8-13(18)15(16)20/h3-6,8-9,21H,7H2,1-2H3
InChIKeyMEOOKOOJTWNZKR-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.24
Rot. Bonds5

About 4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide

4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide (PubChem CID 22774577) has the molecular formula C16H15F4NO2S and a molecular weight of 361.36 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
PubChem CID22774577
Molecular FormulaC16H15F4NO2S
Molecular Weight361.36 g/mol
Exact Mass361.08
IUPAC Name4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C16H15F4NO2S/c1-9(2)7-10-3-5-11(6-4-10)24(22,23)21-16-14(19)12(17)8-13(18)15(16)20/h3-6,8-9,21H,7H2,1-2H3
InChIKeyMEOOKOOJTWNZKR-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)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-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 17388107
4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide
CID 86792679
4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774180
N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22203173
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415
6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide
CID 107642714
4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 19683354
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 43605984

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide (CID 22774577) is 4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide?
The InChIKey is MEOOKOOJTWNZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO2S/c1-9(2)7-10-3-5-11(6-4-10)24(22,23)21-16-14(19)12(17)8-13(18)15(16)20/h3-6,8-9,21H,7H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide?
4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide has a molecular weight of 361.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide is sourced from PubChem (CID 22774577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).