2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

C13H18N2O3S — CID 47109363

IUPAC2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(C(=O)N2CCCC2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H18N2O3S/c1-9-7-11(13(16)15-5-3-4-6-15)8-12(10(9)2)19(14,17)18/h7-8H,3-6H2,1-2H3,(H2,14,17,18)
InChIKeyVDTVNIFYYVUTDR-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.19
Rot. Bonds2

About 2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 47109363) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID47109363
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(C(=O)N2CCCC2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H18N2O3S/c1-9-7-11(13(16)15-5-3-4-6-15)8-12(10(9)2)19(14,17)18/h7-8H,3-6H2,1-2H3,(H2,14,17,18)
InChIKeyVDTVNIFYYVUTDR-UHFFFAOYSA-N
XLogP1.19
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 65373779
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119412777
5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119469135
5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 86977784
5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119647652
5-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 65387902
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119486602
1-(3,4-dimethyl-5-sulfamoylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259421
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 119638653
5-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 163318137
azocan-1-yl-[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55382126
4-(3,4-dimethyl-5-sulfamoylbenzoyl)morpholine-2-carboxylic acid
CID 119239894

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 47109363) is 2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is Cc1cc(C(=O)N2CCCC2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is VDTVNIFYYVUTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-7-11(13(16)15-5-3-4-6-15)8-12(10(9)2)19(14,17)18/h7-8H,3-6H2,1-2H3,(H2,14,17,18).
What are the key properties of 2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 47109363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).