N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide

C11H17FN2O2S — CID 61124375

IUPACN-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C11H17FN2O2S/c1-8-4-5-9(12)6-10(8)17(15,16)14-11(2,3)7-13/h4-6,14H,7,13H2,1-3H3
InChIKeyFLNUQGKGYBCVNR-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.15
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide

N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 61124375) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID61124375
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C11H17FN2O2S/c1-8-4-5-9(12)6-10(8)17(15,16)14-11(2,3)7-13/h4-6,14H,7,13H2,1-3H3
InChIKeyFLNUQGKGYBCVNR-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119975791
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119975386
N-(1-amino-2-methylpropan-2-yl)-2,5-difluoro-4-methylbenzenesulfonamide
CID 86780656
N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61127713
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
ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120709189
N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide
CID 106141876
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide
CID 63194541
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119975810

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide (CID 61124375) is N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC(C)(C)CN.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is FLNUQGKGYBCVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-8-4-5-9(12)6-10(8)17(15,16)14-11(2,3)7-13/h4-6,14H,7,13H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 61124375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).