methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate

C17H18ClN3O5S — CID 119100298

IUPACmethyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccncc3Cl)C2)cc1
InChIInChI=1S/C17H18ClN3O5S/c1-25-17(22)20-12-2-4-14(5-3-12)27(23,24)21-9-7-13(11-21)26-16-6-8-19-10-15(16)18/h2-6,8,10,13H,7,9,11H2,1H3,(H,20,22)
InChIKeyGZLBSPPRKPQJIQ-UHFFFAOYSA-N
MW411.87 g/mol
LogP2.76
Rot. Bonds5

About methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate

methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate (PubChem CID 119100298) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate
PubChem CID119100298
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC Namemethyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccncc3Cl)C2)cc1
InChIInChI=1S/C17H18ClN3O5S/c1-25-17(22)20-12-2-4-14(5-3-12)27(23,24)21-9-7-13(11-21)26-16-6-8-19-10-15(16)18/h2-6,8,10,13H,7,9,11H2,1H3,(H,20,22)
InChIKeyGZLBSPPRKPQJIQ-UHFFFAOYSA-N
XLogP2.76
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 119100292
2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
CID 119100301
4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
CID 122256501
methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 121150776
1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone
CID 122256534
methyl N-[4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122258216
3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine
CID 122256548
methyl N-[4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122261153
4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
CID 119100618
methyl N-[4-[(3R)-3-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190398
3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 119100620
3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122256475

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate?
The IUPAC name of methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate (CID 119100298) is methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccncc3Cl)C2)cc1.
What is the InChIKey of methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate?
The InChIKey is GZLBSPPRKPQJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c1-25-17(22)20-12-2-4-14(5-3-12)27(23,24)21-9-7-13(11-21)26-16-6-8-19-10-15(16)18/h2-6,8,10,13H,7,9,11H2,1H3,(H,20,22).
What are the key properties of methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate?
methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate has a molecular weight of 411.87 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate is sourced from PubChem (CID 119100298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).