4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide

C18H22N4O3S — CID 119542236

IUPAC4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide
SMILESCNCC1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)C1
InChIInChI=1S/C18H22N4O3S/c1-19-12-14-8-11-22(13-14)18(23)15-2-4-17(5-3-15)26(24,25)21-16-6-9-20-10-7-16/h2-7,9-10,14,19H,8,11-13H2,1H3,(H,20,21)
InChIKeyILTKGWBULNNGNX-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.56
Rot. Bonds6

About 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide

4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 119542236) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide
PubChem CID119542236
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide
SMILESCNCC1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)C1
InChIInChI=1S/C18H22N4O3S/c1-19-12-14-8-11-22(13-14)18(23)15-2-4-17(5-3-15)26(24,25)21-16-6-9-20-10-7-16/h2-7,9-10,14,19H,8,11-13H2,1H3,(H,20,21)
InChIKeyILTKGWBULNNGNX-UHFFFAOYSA-N
XLogP1.56
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 119541041
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119541678
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 63263866
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
N-tert-butyl-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 119539094
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119539774
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 119540763
1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 119349414
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-pyridin-4-ylbenzenesulfonamide;dihydrochloride
CID 119639226
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542229
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 97317013

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide (CID 119542236) is 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide is CNCC1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)C1.
What is the InChIKey of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is ILTKGWBULNNGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-19-12-14-8-11-22(13-14)18(23)15-2-4-17(5-3-15)26(24,25)21-16-6-9-20-10-7-16/h2-7,9-10,14,19H,8,11-13H2,1H3,(H,20,21).
What are the key properties of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide?
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 119542236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).