2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide

C12H17FN2O2S — CID 94479302

IUPAC2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NC[C@H]2CCCN2)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-4-5-11(13)12(7-9)18(16,17)15-8-10-3-2-6-14-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3/t10-/m1/s1
InChIKeyBPAKUZLXEAFQEY-SNVBAGLBSA-N
MW272.34 g/mol
LogP1.16
Rot. Bonds4

About 2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide

2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide (PubChem CID 94479302) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
PubChem CID94479302
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NC[C@H]2CCCN2)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-4-5-11(13)12(7-9)18(16,17)15-8-10-3-2-6-14-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3/t10-/m1/s1
InChIKeyBPAKUZLXEAFQEY-SNVBAGLBSA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794247
2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084395
2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119974473
2-fluoro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540772
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
5-bromo-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974330
2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974119
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630409
N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972264
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide (CID 94479302) is 2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NC[C@H]2CCCN2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide?
The InChIKey is BPAKUZLXEAFQEY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-4-5-11(13)12(7-9)18(16,17)15-8-10-3-2-6-14-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3/t10-/m1/s1.
What are the key properties of 2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide?
2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 94479302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).