N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide

C14H14F3N3O2S — CID 166205362

IUPACN-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cn2c(n1)CCCC2
InChIInChI=1S/C14H14F3N3O2S/c15-14(16,17)10-4-3-5-11(8-10)19-23(21,22)13-9-20-7-2-1-6-12(20)18-13/h3-5,8-9,19H,1-2,6-7H2
InChIKeyDMOSTSXPBLNUBP-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.04
Rot. Bonds3

About N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide

N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide (PubChem CID 166205362) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
PubChem CID166205362
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cn2c(n1)CCCC2
InChIInChI=1S/C14H14F3N3O2S/c15-14(16,17)10-4-3-5-11(8-10)19-23(21,22)13-9-20-7-2-1-6-12(20)18-13/h3-5,8-9,19H,1-2,6-7H2
InChIKeyDMOSTSXPBLNUBP-UHFFFAOYSA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(trifluoromethyl)anilino]piperidin-2-one
CID 10729883
1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide
CID 166206509
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99957298
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 119106018
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
1-[[4-(sulfinatoamino)phenyl]sulfonylamino]-3-(trifluoromethyl)benzene
CID 162773483
N-(1-amino-2-methylpropan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride
CID 120874915
3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42283326
1-benzoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247827
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide (CID 166205362) is N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cn2c(n1)CCCC2.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
The InChIKey is DMOSTSXPBLNUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c15-14(16,17)10-4-3-5-11(8-10)19-23(21,22)13-9-20-7-2-1-6-12(20)18-13/h3-5,8-9,19H,1-2,6-7H2.
What are the key properties of N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide?
N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide has a molecular weight of 345.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide is sourced from PubChem (CID 166205362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).