4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide

C15H24FNO2S — CID 2147929

IUPAC4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1F
InChIInChI=1S/C15H24FNO2S/c1-11-9-12(7-8-13(11)16)20(18,19)17-15(5,6)10-14(2,3)4/h7-9,17H,10H2,1-6H3
InChIKeyHWEZRRZSNZVCFF-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.63
Rot. Bonds4

About 4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide

4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (PubChem CID 2147929) has the molecular formula C15H24FNO2S and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
PubChem CID2147929
Molecular FormulaC15H24FNO2S
Molecular Weight301.43 g/mol
Exact Mass301.15
IUPAC Name4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1F
InChIInChI=1S/C15H24FNO2S/c1-11-9-12(7-8-13(11)16)20(18,19)17-15(5,6)10-14(2,3)4/h7-9,17H,10H2,1-6H3
InChIKeyHWEZRRZSNZVCFF-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
methyl 2-methyl-5-(2,4,4-trimethylpentan-2-ylsulfamoyl)benzoate
CID 100544706
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
N-(1-bromo-2-methylpropan-2-yl)-3,4-dimethylbenzenesulfonamide
CID 114298501
4-bromo-2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 116528229
4-[(4-fluoro-3-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068854
4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 37478612
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7938230
4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 110291434
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (CID 2147929) is 4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The InChIKey is HWEZRRZSNZVCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2S/c1-11-9-12(7-8-13(11)16)20(18,19)17-15(5,6)10-14(2,3)4/h7-9,17H,10H2,1-6H3.
What are the key properties of 4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide has a molecular weight of 301.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2147929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).