N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide

C11H14F3NO3S — CID 4827736

IUPACN-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO3S/c1-10(2,3)15-19(16,17)9-6-4-8(5-7-9)18-11(12,13)14/h4-7,15H,1-3H3
InChIKeyNMXRIWQVWHHUMX-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.66
Rot. Bonds3

About N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide

N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 4827736) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID4827736
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC NameN-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO3S/c1-10(2,3)15-19(16,17)9-6-4-8(5-7-9)18-11(12,13)14/h4-7,15H,1-3H3
InChIKeyNMXRIWQVWHHUMX-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxybenzenesulfonamide
CID 70789
4-Propoxybenzenesulfonamide
CID 21978067
4-Butoxybenzenesulfonamide
CID 2049187
4-Ethoxybenzenesulfonamide
CID 3724005
2-(Trifluoromethoxy)benzenesulfonamide
CID 2777208
N-hydroxy-4-methoxybenzene-1-sulfonamide
CID 12635073
N-cyclopropyl-4-ethoxybenzenesulfonamide
CID 848357
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
2-(Difluoromethoxy)benzene-1-sulfonamide
CID 13322075
4-Methoxy-N-methylbenzenesulfonamide
CID 2497429
p-(Trifluoromethoxy)benzenesulphonyl chloride
CID 523102

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide (CID 4827736) is N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is NMXRIWQVWHHUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-10(2,3)15-19(16,17)9-6-4-8(5-7-9)18-11(12,13)14/h4-7,15H,1-3H3.
What are the key properties of N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide?
N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 4827736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).