2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide

C18H20ClN3O4S — CID 32696205

IUPAC2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(Cl)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H20ClN3O4S/c1-2-26-15-6-5-14(21-18(23)13-7-8-20-17(19)11-13)12-16(15)27(24,25)22-9-3-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,23)
InChIKeyKENXLEUQMCYDCM-UHFFFAOYSA-N
MW409.90 g/mol
LogP3.17
Rot. Bonds6

About 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide

2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide (PubChem CID 32696205) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
PubChem CID32696205
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(Cl)c2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H20ClN3O4S/c1-2-26-15-6-5-14(21-18(23)13-7-8-20-17(19)11-13)12-16(15)27(24,25)22-9-3-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,23)
InChIKeyKENXLEUQMCYDCM-UHFFFAOYSA-N
XLogP3.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenylmethoxypyridine-4-carboxamide
CID 55996590
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 9390241
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-(methoxymethyl)benzamide
CID 8624161
3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 17488443
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
4-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 25445526

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide (CID 32696205) is 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnc(Cl)c2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide?
The InChIKey is KENXLEUQMCYDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-2-26-15-6-5-14(21-18(23)13-7-8-20-17(19)11-13)12-16(15)27(24,25)22-9-3-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide?
2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide has a molecular weight of 409.90 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 32696205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).