N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C16H17F2NO3S — CID 87032912

IUPACN-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(F)c1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C16H17F2NO3S/c17-15-8-7-14(10-16(15)18)23(20,21)19(12-4-1-2-5-12)11-13-6-3-9-22-13/h3,6-10,12H,1-2,4-5,11H2
InChIKeyQIBJXTJEIUXCQV-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.69
Rot. Bonds5

About N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide

N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 87032912) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID87032912
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC NameN-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(F)c1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C16H17F2NO3S/c17-15-8-7-14(10-16(15)18)23(20,21)19(12-4-1-2-5-12)11-13-6-3-9-22-13/h3,6-10,12H,1-2,4-5,11H2
InChIKeyQIBJXTJEIUXCQV-UHFFFAOYSA-N
XLogP3.69
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 115328878
N-cyclopentyl-N-(furan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47268204
2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
CID 60828784
3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 39877116
5,6-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 64608208
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
2-amino-5-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61112354
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 71889824
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 98221525
N-[2-(4-chlorophenyl)sulfonylethyl]-N-(furan-2-ylmethyl)cyclopentanamine
CID 55828003
3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 87032912) is N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)c(F)c1)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is QIBJXTJEIUXCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c17-15-8-7-14(10-16(15)18)23(20,21)19(12-4-1-2-5-12)11-13-6-3-9-22-13/h3,6-10,12H,1-2,4-5,11H2.
What are the key properties of N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 87032912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).