N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide

C19H23N3O3S — CID 97154708

IUPACN-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCc1cccnc1CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-5-3-11-20-18(14)13-21-26(24,25)17-9-7-16(8-10-17)19(23)22-12-4-6-15(22)2/h3,5,7-11,15,21H,4,6,12-13H2,1-2H3/t15-/m0/s1
InChIKeyJUSVKRQIHOTJCO-HNNXBMFYSA-N
MW373.48 g/mol
LogP2.49
Rot. Bonds5

About N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide

N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 97154708) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID97154708
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCc1cccnc1CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-5-3-11-20-18(14)13-21-26(24,25)17-9-7-16(8-10-17)19(23)22-12-4-6-15(22)2/h3,5,7-11,15,21H,4,6,12-13H2,1-2H3/t15-/m0/s1
InChIKeyJUSVKRQIHOTJCO-HNNXBMFYSA-N
XLogP2.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 97150016
4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide
CID 70710461
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254
N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 39156898
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
N-ethyl-4-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 32626765

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide (CID 97154708) is N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide is Cc1cccnc1CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C)cc1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is JUSVKRQIHOTJCO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-5-3-11-20-18(14)13-21-26(24,25)17-9-7-16(8-10-17)19(23)22-12-4-6-15(22)2/h3,5,7-11,15,21H,4,6,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide?
N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 97154708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).