2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide

C16H17F2NO3S — CID 47015124

IUPAC2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCC1CC1c1ccc(CN(C)S(=O)(=O)c2cc(F)ccc2F)o1
InChIInChI=1S/C16H17F2NO3S/c1-10-7-13(10)15-6-4-12(22-15)9-19(2)23(20,21)16-8-11(17)3-5-14(16)18/h3-6,8,10,13H,7,9H2,1-2H3
InChIKeyFCDHKUHWKCEGKF-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.50
Rot. Bonds5

About 2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide

2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide (PubChem CID 47015124) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
PubChem CID47015124
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCC1CC1c1ccc(CN(C)S(=O)(=O)c2cc(F)ccc2F)o1
InChIInChI=1S/C16H17F2NO3S/c1-10-7-13(10)15-6-4-12(22-15)9-19(2)23(20,21)16-8-11(17)3-5-14(16)18/h3-6,8,10,13H,7,9H2,1-2H3
InChIKeyFCDHKUHWKCEGKF-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide
CID 30142898
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 47015119
N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 30142906
N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 31109169
2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid
CID 61455218
N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide
CID 43458468
N,2-dimethyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-6-nitrobenzenesulfonamide
CID 98691157
3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001595
3,3,3-trifluoro-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001598
(3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide
CID 51936643
2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 102554956
N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 55682151

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide (CID 47015124) is 2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide is CC1CC1c1ccc(CN(C)S(=O)(=O)c2cc(F)ccc2F)o1.
What is the InChIKey of 2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is FCDHKUHWKCEGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-10-7-13(10)15-6-4-12(22-15)9-19(2)23(20,21)16-8-11(17)3-5-14(16)18/h3-6,8,10,13H,7,9H2,1-2H3.
What are the key properties of 2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 47015124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).