2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride

C16H19ClFNO2S — CID 143195068

IUPAC2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride
SMILESCC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1.Cl
InChIInChI=1S/C16H18FNO2S.ClH/c1-16(2,3)14-6-4-5-7-15(14)21(19,20)18-13-10-8-12(17)9-11-13;/h4-11,18H,1-3H3;1H
InChIKeyJEKHRJCJDXGLPR-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.35
Rot. Bonds3

About 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride

2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride (PubChem CID 143195068) has the molecular formula C16H19ClFNO2S and a molecular weight of 343.85 g/mol. Its IUPAC name is 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride
PubChem CID143195068
Molecular FormulaC16H19ClFNO2S
Molecular Weight343.85 g/mol
Exact Mass343.08
IUPAC Name2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride
SMILESCC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1.Cl
InChIInChI=1S/C16H18FNO2S.ClH/c1-16(2,3)14-6-4-5-7-15(14)21(19,20)18-13-10-8-12(17)9-11-13;/h4-11,18H,1-3H3;1H
InChIKeyJEKHRJCJDXGLPR-UHFFFAOYSA-N
XLogP4.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
CID 143195069
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
2-tert-butyl-N-methylbenzenesulfonamide
CID 118909876
N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 17487398
N-(4-tert-butylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532477
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
lithium 2-tert-butylbenzenesulfonate
CID 23719371
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823376
N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106061777

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride (CID 143195068) is 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride is CC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1.Cl.
What is the InChIKey of 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride?
The InChIKey is JEKHRJCJDXGLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S.ClH/c1-16(2,3)14-6-4-5-7-15(14)21(19,20)18-13-10-8-12(17)9-11-13;/h4-11,18H,1-3H3;1H.
What are the key properties of 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride?
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 143195068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).