N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide

C15H18F3NO3S — CID 146131876

IUPACN-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)14(6-2-1-3-7-14)19-23(20,21)13-5-4-11-9-22-10-12(11)8-13/h4-5,8,19H,1-3,6-7,9-10H2
InChIKeyBVEOUWITKWGPDD-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.26
Rot. Bonds3

About N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide

N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide (PubChem CID 146131876) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
PubChem CID146131876
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC NameN-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)14(6-2-1-3-7-14)19-23(20,21)13-5-4-11-9-22-10-12(11)8-13/h4-5,8,19H,1-3,6-7,9-10H2
InChIKeyBVEOUWITKWGPDD-UHFFFAOYSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide
CID 154797870
4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106214877
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208577
N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 136528429
3-(aminomethyl)-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218648
2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106209132
2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide
CID 136520718
2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide
CID 106211293
3-(hydroxymethyl)-4-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218479
N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 84584191
3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106217621
5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
CID 106218429

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide (CID 146131876) is N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide is O=S(=O)(NC1(C(F)(F)F)CCCCC1)c1ccc2c(c1)COC2.
What is the InChIKey of N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
The InChIKey is BVEOUWITKWGPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c16-15(17,18)14(6-2-1-3-7-14)19-23(20,21)13-5-4-11-9-22-10-12(11)8-13/h4-5,8,19H,1-3,6-7,9-10H2.
What are the key properties of N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide has a molecular weight of 349.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide is sourced from PubChem (CID 146131876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).