N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide

C11H16FNO2S — CID 47190028

IUPACN-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H16FNO2S/c1-8-5-6-9(12)7-10(8)16(14,15)13-11(2,3)4/h5-7,13H,1-4H3
InChIKeyPQIUEBFPFWGDHN-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.21
Rot. Bonds2

About N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide

N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 47190028) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
PubChem CID47190028
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H16FNO2S/c1-8-5-6-9(12)7-10(8)16(14,15)13-11(2,3)4/h5-7,13H,1-4H3
InChIKeyPQIUEBFPFWGDHN-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

N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61127713
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
N-(3-cyanopentan-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61122121
N-[3-(bromomethyl)pentan-3-yl]-5-fluoro-2-methylbenzenesulfonamide
CID 114294064
2-ethyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]butanoic acid
CID 79807028
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39418051
5-fluoro-2-methyl-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82714803
5-fluoro-2-methylbenzenesulfonyl bromide
CID 130493596
5-fluoro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-2-methylbenzenesulfonamide
CID 3682827
N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 83178892

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide (CID 47190028) is N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is PQIUEBFPFWGDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-8-5-6-9(12)7-10(8)16(14,15)13-11(2,3)4/h5-7,13H,1-4H3.
What are the key properties of N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide?
N-tert-butyl-5-fluoro-2-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-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 47190028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).