4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

C15H23FN2O2S — CID 107327006

IUPAC4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)CN1CCCC1
InChIInChI=1S/C15H23FN2O2S/c1-11-8-14(16)9-12(2)15(11)21(19,20)17-13(3)10-18-6-4-5-7-18/h8-9,13,17H,4-7,10H2,1-3H3
InChIKeySZAFGGULQNOBKM-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.21
Rot. Bonds5

About 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 107327006) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID107327006
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)CN1CCCC1
InChIInChI=1S/C15H23FN2O2S/c1-11-8-14(16)9-12(2)15(11)21(19,20)17-13(3)10-18-6-4-5-7-18/h8-9,13,17H,4-7,10H2,1-3H3
InChIKeySZAFGGULQNOBKM-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 79568745
4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107326702
3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 63322579
2-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471899
4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61221311
4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide
CID 106050910
2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61060737
3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471821
3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471703
5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 106050950
4-cyano-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 105055659
4-(aminomethyl)-2,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)furan-3-sulfonamide
CID 106050903

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (CID 107327006) is 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC(C)CN1CCCC1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is SZAFGGULQNOBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-8-14(16)9-12(2)15(11)21(19,20)17-13(3)10-18-6-4-5-7-18/h8-9,13,17H,4-7,10H2,1-3H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 107327006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).