N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide

C16H18N4O3S — CID 166294175

IUPACN-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide
SMILESCNc1ncccc1C(=O)N1CC(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H18N4O3S/c1-17-15-14(8-5-9-18-15)16(21)20-10-12(11-20)19-24(22,23)13-6-3-2-4-7-13/h2-9,12,19H,10-11H2,1H3,(H,17,18)
InChIKeyBVSRFQWCAYZJSN-UHFFFAOYSA-N
MW346.41 g/mol
LogP0.93
Rot. Bonds5

About N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide

N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide (PubChem CID 166294175) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide
PubChem CID166294175
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide
SMILESCNc1ncccc1C(=O)N1CC(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H18N4O3S/c1-17-15-14(8-5-9-18-15)16(21)20-10-12(11-20)19-24(22,23)13-6-3-2-4-7-13/h2-9,12,19H,10-11H2,1H3,(H,17,18)
InChIKeyBVSRFQWCAYZJSN-UHFFFAOYSA-N
XLogP0.93
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
CID 29149627
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 95728105
N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95296015
[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 135095745
N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide
CID 166398444

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide (CID 166294175) is N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide is CNc1ncccc1C(=O)N1CC(NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide?
The InChIKey is BVSRFQWCAYZJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-17-15-14(8-5-9-18-15)16(21)20-10-12(11-20)19-24(22,23)13-6-3-2-4-7-13/h2-9,12,19H,10-11H2,1H3,(H,17,18).
What are the key properties of N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide?
N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)pyridine-3-carbonyl]azetidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 166294175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).