3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide

C14H20N2O3S — CID 79036562

IUPAC3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N1CC(C)C(C)C1
InChIInChI=1S/C14H20N2O3S/c1-9-4-5-12(20(15,18)19)6-13(9)14(17)16-7-10(2)11(3)8-16/h4-6,10-11H,7-8H2,1-3H3,(H2,15,18,19)
InChIKeyNYEBEIGKIHNWEE-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.37
Rot. Bonds2

About 3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide

3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide (PubChem CID 79036562) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide
PubChem CID79036562
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N1CC(C)C(C)C1
InChIInChI=1S/C14H20N2O3S/c1-9-4-5-12(20(15,18)19)6-13(9)14(17)16-7-10(2)11(3)8-16/h4-6,10-11H,7-8H2,1-3H3,(H2,15,18,19)
InChIKeyNYEBEIGKIHNWEE-UHFFFAOYSA-N
XLogP1.37
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60635809
4-methyl-3-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]benzenesulfonamide
CID 124606077
3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 62124684
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone
CID 114679861
3-[(9aS)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-4-methylbenzenesulfonamide
CID 95120525
4-bromo-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 62732706
(2,6-dimethylmorpholin-4-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 24982968
4-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 120641426
3-[(3R,4S)-4-(dimethylamino)-1-(2-methyl-5-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
CID 72838999
(2-methyl-5-methylsulfonylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124591259
4-methyl-3-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]benzenesulfonamide
CID 118786383
3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide
CID 79186833

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide (CID 79036562) is 3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC(C)C(C)C1.
What is the InChIKey of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide?
The InChIKey is NYEBEIGKIHNWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-4-5-12(20(15,18)19)6-13(9)14(17)16-7-10(2)11(3)8-16/h4-6,10-11H,7-8H2,1-3H3,(H2,15,18,19).
What are the key properties of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide?
3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 79036562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).