6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide

C16H18ClN3O3S — CID 133406389

IUPAC6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(Oc3cccc(Cl)c3)C2)nc1
InChIInChI=1S/C16H18ClN3O3S/c1-18-24(21,22)15-5-6-16(19-10-15)20-8-7-14(11-20)23-13-4-2-3-12(17)9-13/h2-6,9-10,14,18H,7-8,11H2,1H3
InChIKeyLXJKVMNUBOENOO-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.30
Rot. Bonds5

About 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide

6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide (PubChem CID 133406389) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide
PubChem CID133406389
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(Oc3cccc(Cl)c3)C2)nc1
InChIInChI=1S/C16H18ClN3O3S/c1-18-24(21,22)15-5-6-16(19-10-15)20-8-7-14(11-20)23-13-4-2-3-12(17)9-13/h2-6,9-10,14,18H,7-8,11H2,1H3
InChIKeyLXJKVMNUBOENOO-UHFFFAOYSA-N
XLogP2.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methyl-3-nitrobenzenesulfonamide
CID 133406415
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
2-[6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273596
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 133406433
5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine
CID 133406376
6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133298305
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133462129
N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133317803
1-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705467
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406478
2-tert-butyl-5-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 133406440
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide (CID 133406389) is 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(N2CCC(Oc3cccc(Cl)c3)C2)nc1.
What is the InChIKey of 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide?
The InChIKey is LXJKVMNUBOENOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-18-24(21,22)15-5-6-16(19-10-15)20-8-7-14(11-20)23-13-4-2-3-12(17)9-13/h2-6,9-10,14,18H,7-8,11H2,1H3.
What are the key properties of 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide?
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide has a molecular weight of 367.86 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133406389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).