(2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide

C14H16F3NO3S — CID 141023260

IUPAC(2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc2c(c1)C=C[C@@H](C(F)(F)F)O2
InChIInChI=1S/C14H16F3NO3S/c1-13(2,3)18-22(19,20)10-5-6-11-9(8-10)4-7-12(21-11)14(15,16)17/h4-8,12,18H,1-3H3/t12-/m0/s1
InChIKeyIYYACZIPXHZCKF-LBPRGKRZSA-N
MW335.35 g/mol
LogP3.10
Rot. Bonds2

About (2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide

(2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide (PubChem CID 141023260) has the molecular formula C14H16F3NO3S and a molecular weight of 335.35 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide
PubChem CID141023260
Molecular FormulaC14H16F3NO3S
Molecular Weight335.35 g/mol
Exact Mass335.08
IUPAC Name(2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc2c(c1)C=C[C@@H](C(F)(F)F)O2
InChIInChI=1S/C14H16F3NO3S/c1-13(2,3)18-22(19,20)10-5-6-11-9(8-10)4-7-12(21-11)14(15,16)17/h4-8,12,18H,1-3H3/t12-/m0/s1
InChIKeyIYYACZIPXHZCKF-LBPRGKRZSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide?
The IUPAC name of (2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide (CID 141023260) is (2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide?
The canonical SMILES for (2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C=C[C@@H](C(F)(F)F)O2.
What is the InChIKey of (2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide?
The InChIKey is IYYACZIPXHZCKF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16F3NO3S/c1-13(2,3)18-22(19,20)10-5-6-11-9(8-10)4-7-12(21-11)14(15,16)17/h4-8,12,18H,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide?
(2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide has a molecular weight of 335.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-(trifluoromethyl)-2H-chromene-6-sulfonamide is sourced from PubChem (CID 141023260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).