N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide

C10H13F3N2O2S — CID 91659844

IUPACN-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H13F3N2O2S/c1-10(2,5-14)15-18(16,17)6-3-7(11)9(13)8(12)4-6/h3-4,15H,5,14H2,1-2H3
InChIKeyZWMLNGPNTRDRPW-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.12
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide

N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide (PubChem CID 91659844) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide
PubChem CID91659844
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H13F3N2O2S/c1-10(2,5-14)15-18(16,17)6-3-7(11)9(13)8(12)4-6/h3-4,15H,5,14H2,1-2H3
InChIKeyZWMLNGPNTRDRPW-UHFFFAOYSA-N
XLogP1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-(1-amino-2-methylpropan-2-yl)-2,5-difluoro-4-methylbenzenesulfonamide
CID 86780656
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031569
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 113471557
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119981261
N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120709191
N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride
CID 126790151
N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-cyanobenzenesulfonamide;hydrochloride
CID 119975364
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975578

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide (CID 91659844) is N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide is CC(C)(CN)NS(=O)(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide?
The InChIKey is ZWMLNGPNTRDRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-10(2,5-14)15-18(16,17)6-3-7(11)9(13)8(12)4-6/h3-4,15H,5,14H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 1.12, 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)-3,4,5-trifluorobenzenesulfonamide is sourced from PubChem (CID 91659844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).