N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide

C13H14F2N2O2S — CID 4784514

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2)n1C
InChIInChI=1S/C13H14F2N2O2S/c1-9-3-4-10(17(9)2)8-16-20(18,19)11-5-6-12(14)13(15)7-11/h3-7,16H,8H2,1-2H3
InChIKeyHZWACNXGBKHFQT-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.09
Rot. Bonds4

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide (PubChem CID 4784514) has the molecular formula C13H14F2N2O2S and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide
PubChem CID4784514
Molecular FormulaC13H14F2N2O2S
Molecular Weight300.33 g/mol
Exact Mass300.07
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2)n1C
InChIInChI=1S/C13H14F2N2O2S/c1-9-3-4-10(17(9)2)8-16-20(18,19)11-5-6-12(14)13(15)7-11/h3-7,16H,8H2,1-2H3
InChIKeyHZWACNXGBKHFQT-UHFFFAOYSA-N
XLogP2.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenesulfonamide, p-(2,5-dimethylpyrrol-1-yl)-
CID 213325
N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide
CID 2556847
N-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 2815626
4-tert-butyl-N-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 672067
2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 4827521
N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 668955
4-(1H-Pyrrol-1-yl)benzenesulfonamide
CID 226310
4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 674996
3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2432838
1-[(2,4-difluorophenyl)sulfonyl]-4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine
CID 2740788
2-(benzenesulfonyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 16251676
4-fluoro-N-[4-(1H-pyrrol-1-yl)phenyl]benzenesulfonamide
CID 2768249

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide (CID 4784514) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is HZWACNXGBKHFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2S/c1-9-3-4-10(17(9)2)8-16-20(18,19)11-5-6-12(14)13(15)7-11/h3-7,16H,8H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 300.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 4784514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).