2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide

C12H17FN2O2S — CID 63298118

IUPAC2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)N(C)C2CCNC2)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-3-4-11(13)12(7-9)18(16,17)15(2)10-5-6-14-8-10/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyNAXIFCCKOFWVIW-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.12
Rot. Bonds3

About 2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide

2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63298118) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63298118
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)N(C)C2CCNC2)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-3-4-11(13)12(7-9)18(16,17)15(2)10-5-6-14-8-10/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyNAXIFCCKOFWVIW-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55172954
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide
CID 119966041
2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297707
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297857
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
9-(2-fluoro-5-methylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719538
4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
4-bromo-N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119979113
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63298118) is 2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)N(C)C2CCNC2)c1.
What is the InChIKey of 2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is NAXIFCCKOFWVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-3-4-11(13)12(7-9)18(16,17)15(2)10-5-6-14-8-10/h3-4,7,10,14H,5-6,8H2,1-2H3.
What are the key properties of 2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63298118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).