N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide

C13H16F3NO3S — CID 119051410

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)6-2-8-21(18,19)17-11-4-5-12-10(9-11)3-1-7-20-12/h4-5,9,17H,1-3,6-8H2
InChIKeyHPYOIEXQRZYWRF-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.10
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 119051410) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID119051410
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)6-2-8-21(18,19)17-11-4-5-12-10(9-11)3-1-7-20-12/h4-5,9,17H,1-3,6-8H2
InChIKeyHPYOIEXQRZYWRF-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 119051410) is N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is HPYOIEXQRZYWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c14-13(15,16)6-2-8-21(18,19)17-11-4-5-12-10(9-11)3-1-7-20-12/h4-5,9,17H,1-3,6-8H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 323.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 119051410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).