(2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide

C17H17ClN2O5S2 — CID 27555576

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2O5S2/c18-15-6-7-16(26-15)27(22,23)20-8-2-1-3-12(20)17(21)19-11-4-5-13-14(9-11)25-10-24-13/h4-7,9,12H,1-3,8,10H2,(H,19,21)/t12-/m1/s1
InChIKeySHGDKLMFCGIDNN-GFCCVEGCSA-N
MW428.92 g/mol
LogP3.31
Rot. Bonds4

About (2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide

(2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide (PubChem CID 27555576) has the molecular formula C17H17ClN2O5S2 and a molecular weight of 428.92 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide
PubChem CID27555576
Molecular FormulaC17H17ClN2O5S2
Molecular Weight428.92 g/mol
Exact Mass428.03
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2O5S2/c18-15-6-7-16(26-15)27(22,23)20-8-2-1-3-12(20)17(21)19-11-4-5-13-14(9-11)25-10-24-13/h4-7,9,12H,1-3,8,10H2,(H,19,21)/t12-/m1/s1
InChIKeySHGDKLMFCGIDNN-GFCCVEGCSA-N
XLogP3.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 16826697
(2S)-1-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide
CID 8018672
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 41398075
(2S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8700873
(2R)-N-(1,3-benzothiazol-6-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide
CID 29259646
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 51648877
(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 92887723
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide
CID 25303397
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 51646909

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide (CID 27555576) is (2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide?
The InChIKey is SHGDKLMFCGIDNN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClN2O5S2/c18-15-6-7-16(26-15)27(22,23)20-8-2-1-3-12(20)17(21)19-11-4-5-13-14(9-11)25-10-24-13/h4-7,9,12H,1-3,8,10H2,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide?
(2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 27555576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).