5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide

C13H16ClFN2O3S — CID 79179811

IUPAC5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
SMILESCC1CN(C(=O)c2cc(Cl)cc(S(N)(=O)=O)c2F)CC1C
InChIInChI=1S/C13H16ClFN2O3S/c1-7-5-17(6-8(7)2)13(18)10-3-9(14)4-11(12(10)15)21(16,19)20/h3-4,7-8H,5-6H2,1-2H3,(H2,16,19,20)
InChIKeyFUIBWUWVXSDGHX-UHFFFAOYSA-N
MW334.80 g/mol
LogP1.85
Rot. Bonds2

About 5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide

5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide (PubChem CID 79179811) has the molecular formula C13H16ClFN2O3S and a molecular weight of 334.80 g/mol. Its IUPAC name is 5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
PubChem CID79179811
Molecular FormulaC13H16ClFN2O3S
Molecular Weight334.80 g/mol
Exact Mass334.06
IUPAC Name5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
SMILESCC1CN(C(=O)c2cc(Cl)cc(S(N)(=O)=O)c2F)CC1C
InChIInChI=1S/C13H16ClFN2O3S/c1-7-5-17(6-8(7)2)13(18)10-3-9(14)4-11(12(10)15)21(16,19)20/h3-4,7-8H,5-6H2,1-2H3,(H2,16,19,20)
InChIKeyFUIBWUWVXSDGHX-UHFFFAOYSA-N
XLogP1.85
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylpyrrolidine-1-carbonyl)-2,5-difluorobenzenesulfonamide
CID 79179822
4-chloro-5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
CID 79179813
5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367301
5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65373518
5-chloro-2-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 82878062
propan-2-yl 5-chloro-2-fluoro-3-sulfamoylbenzoate
CID 65380009
2,5-dichloro-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 65373592
5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide
CID 65380196
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 79036562
3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide
CID 79186833
5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
CID 65388548

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide (CID 79179811) is 5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide is CC1CN(C(=O)c2cc(Cl)cc(S(N)(=O)=O)c2F)CC1C.
What is the InChIKey of 5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide?
The InChIKey is FUIBWUWVXSDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3S/c1-7-5-17(6-8(7)2)13(18)10-3-9(14)4-11(12(10)15)21(16,19)20/h3-4,7-8H,5-6H2,1-2H3,(H2,16,19,20).
What are the key properties of 5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide?
5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide has a molecular weight of 334.80 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 79179811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).