4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide

C11H15FN2O4S2 — CID 110871302

IUPAC4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H15FN2O4S2/c1-19(15,16)14-7-6-10(8-14)13-20(17,18)11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3
InChIKeyMNISXHKJFOIAPZ-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.14
Rot. Bonds4

About 4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide

4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 110871302) has the molecular formula C11H15FN2O4S2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID110871302
Molecular FormulaC11H15FN2O4S2
Molecular Weight322.38 g/mol
Exact Mass322.05
IUPAC Name4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H15FN2O4S2/c1-19(15,16)14-7-6-10(8-14)13-20(17,18)11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3
InChIKeyMNISXHKJFOIAPZ-UHFFFAOYSA-N
XLogP0.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110871310
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 110871311
N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 47958232
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
CID 91241867
3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 55572265
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
2,4,5-trifluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 136573940
4-fluoro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 71456782
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 166308941

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide (CID 110871302) is 4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide is CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is MNISXHKJFOIAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S2/c1-19(15,16)14-7-6-10(8-14)13-20(17,18)11-4-2-9(12)3-5-11/h2-5,10,13H,6-8H2,1H3.
What are the key properties of 4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide?
4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 322.38 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 110871302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).