N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide

C11H16FNO2S — CID 9267364

IUPACN-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C)ccc1F
InChIInChI=1S/C11H16FNO2S/c1-8-7-9(5-6-10(8)12)16(14,15)13-11(2,3)4/h5-7,13H,1-4H3
InChIKeyQFQSZNABFLDLMT-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.21
Rot. Bonds2

About N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide

N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 9267364) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
PubChem CID9267364
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C)ccc1F
InChIInChI=1S/C11H16FNO2S/c1-8-7-9(5-6-10(8)12)16(14,15)13-11(2,3)4/h5-7,13H,1-4H3
InChIKeyQFQSZNABFLDLMT-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 2147929
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
N-tert-butyl-3-fluoro-4-nitrobenzenesulfonamide
CID 82844200
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide
CID 1121755
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 110291434
N-tert-butyl-4-(3-hydroxyprop-1-ynyl)-3-methylbenzenesulfonamide
CID 60822555
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110416259
N-tert-butyl-3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 138059788

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide (CID 9267364) is N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1F.
What is the InChIKey of N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is QFQSZNABFLDLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-8-7-9(5-6-10(8)12)16(14,15)13-11(2,3)4/h5-7,13H,1-4H3.
What are the key properties of N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide?
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 245.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 9267364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).