N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide

C13H14F2N2O3S — CID 95985258

IUPACN-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide
SMILESO=C1C[C@@H](NS(=O)(=O)c2c(F)cccc2F)CN1C1CC1
InChIInChI=1S/C13H14F2N2O3S/c14-10-2-1-3-11(15)13(10)21(19,20)16-8-6-12(18)17(7-8)9-4-5-9/h1-3,8-9,16H,4-7H2/t8-/m1/s1
InChIKeyXYRHMSRPNQVXAW-MRVPVSSYSA-N
MW316.33 g/mol
LogP1.01
Rot. Bonds4

About N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide

N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide (PubChem CID 95985258) has the molecular formula C13H14F2N2O3S and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide
PubChem CID95985258
Molecular FormulaC13H14F2N2O3S
Molecular Weight316.33 g/mol
Exact Mass316.07
IUPAC NameN-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide
SMILESO=C1C[C@@H](NS(=O)(=O)c2c(F)cccc2F)CN1C1CC1
InChIInChI=1S/C13H14F2N2O3S/c14-10-2-1-3-11(15)13(10)21(19,20)16-8-6-12(18)17(7-8)9-4-5-9/h1-3,8-9,16H,4-7H2/t8-/m1/s1
InChIKeyXYRHMSRPNQVXAW-MRVPVSSYSA-N
XLogP1.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-methylbenzenesulfonamide
CID 110719771
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 95985260
4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719814
3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719783
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile
CID 133357352
1-(4-chlorophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 110719803
N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119970454
2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545218
4-[(2,6-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809042
2-fluoro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564829
2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984042
2,6-difluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984043

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide (CID 95985258) is N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide is O=C1C[C@@H](NS(=O)(=O)c2c(F)cccc2F)CN1C1CC1.
What is the InChIKey of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide?
The InChIKey is XYRHMSRPNQVXAW-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14F2N2O3S/c14-10-2-1-3-11(15)13(10)21(19,20)16-8-6-12(18)17(7-8)9-4-5-9/h1-3,8-9,16H,4-7H2/t8-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide?
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide has a molecular weight of 316.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 95985258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).