4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide

C17H19Cl2N3O3S — CID 55919824

IUPAC4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N3O3S/c1-21-14(11-12(18)16(21)19)17(23)20-13-7-3-4-8-15(13)26(24,25)22-9-5-2-6-10-22/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,23)
InChIKeyUKJBGOJSQMSOEU-UHFFFAOYSA-N
MW416.33 g/mol
LogP3.76
Rot. Bonds4

About 4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide

4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide (PubChem CID 55919824) has the molecular formula C17H19Cl2N3O3S and a molecular weight of 416.33 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
PubChem CID55919824
Molecular FormulaC17H19Cl2N3O3S
Molecular Weight416.33 g/mol
Exact Mass415.05
IUPAC Name4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N3O3S/c1-21-14(11-12(18)16(21)19)17(23)20-13-7-3-4-8-15(13)26(24,25)22-9-5-2-6-10-22/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,23)
InChIKeyUKJBGOJSQMSOEU-UHFFFAOYSA-N
XLogP3.76
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817625
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 55919694
4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549546
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
1-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)triazole-4-carboxamide
CID 60549527
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562
N-(2,5-dimethylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068882
4-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549411
(2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 60549459
N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068913

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide (CID 55919824) is 4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide is Cn1c(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide?
The InChIKey is UKJBGOJSQMSOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3S/c1-21-14(11-12(18)16(21)19)17(23)20-13-7-3-4-8-15(13)26(24,25)22-9-5-2-6-10-22/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,23).
What are the key properties of 4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide?
4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide has a molecular weight of 416.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55919824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).