N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide

C14H12F3N3O2S — CID 154765958

IUPACN-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ncn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)12-7-13(19-8-18-12)20-23(21,22)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,18,19,20)
InChIKeyXHFHOTLLNIBTPI-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.78
Rot. Bonds3

About N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 154765958) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID154765958
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC NameN-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ncn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)12-7-13(19-8-18-12)20-23(21,22)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,18,19,20)
InChIKeyXHFHOTLLNIBTPI-UHFFFAOYSA-N
XLogP2.78
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135441
N-(6-pyrazol-1-ylpyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135031
N-(1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 51698963
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 84598051
N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 71917726
N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 116798867
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110281087
N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 82715932
N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 166374396
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070

Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 154765958) is N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ncn1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is XHFHOTLLNIBTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c15-14(16,17)12-7-13(19-8-18-12)20-23(21,22)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,18,19,20).
What are the key properties of N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 343.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 154765958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).