N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide

C11H13F2NO2S — CID 8817126

IUPACN-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C11H13F2NO2S/c1-7(8-5-6-8)14-17(15,16)11-9(12)3-2-4-10(11)13/h2-4,7-8,14H,5-6H2,1H3/t7-/m1/s1
InChIKeyLVUUWONPJVRCCK-SSDOTTSWSA-N
MW261.29 g/mol
LogP2.04
Rot. Bonds4

About N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide

N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide (PubChem CID 8817126) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
PubChem CID8817126
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C11H13F2NO2S/c1-7(8-5-6-8)14-17(15,16)11-9(12)3-2-4-10(11)13/h2-4,7-8,14H,5-6H2,1H3/t7-/m1/s1
InChIKeyLVUUWONPJVRCCK-SSDOTTSWSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
CID 62406259
N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326719
2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide
CID 97327429
2,6-dichloro-N-(1-cyclobutylethyl)benzenesulfonamide
CID 75469798
methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 113257628
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 95588566
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
CID 62407142
2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 103976987
2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide (CID 8817126) is N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide is C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is LVUUWONPJVRCCK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c1-7(8-5-6-8)14-17(15,16)11-9(12)3-2-4-10(11)13/h2-4,7-8,14H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide?
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 261.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 8817126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).