3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide

C20H25N3O3S — CID 119649020

IUPAC3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCNCC1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C20H25N3O3S/c1-15-6-3-8-17(12-15)22-27(25,26)19-10-4-7-16(13-19)20(24)23-11-5-9-18(23)14-21-2/h3-4,6-8,10,12-13,18,21-22H,5,9,11,14H2,1-2H3
InChIKeyCSEBXOFTYWAZGI-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.62
Rot. Bonds6

About 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide

3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 119649020) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
PubChem CID119649020
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCNCC1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C20H25N3O3S/c1-15-6-3-8-17(12-15)22-27(25,26)19-10-4-7-16(13-19)20(24)23-11-5-9-18(23)14-21-2/h3-4,6-8,10,12-13,18,21-22H,5,9,11,14H2,1-2H3
InChIKeyCSEBXOFTYWAZGI-UHFFFAOYSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-benzyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119650431
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
[3-(benzenesulfonylmethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119652101
N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470409
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 24979802
N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576776
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119651472

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide (CID 119649020) is 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide is CNCC1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is CSEBXOFTYWAZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-6-3-8-17(12-15)22-27(25,26)19-10-4-7-16(13-19)20(24)23-11-5-9-18(23)14-21-2/h3-4,6-8,10,12-13,18,21-22H,5,9,11,14H2,1-2H3.
What are the key properties of 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 119649020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).