N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide

C20H17ClN2O5S — CID 4077487

IUPACN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H17ClN2O5S/c21-15-8-7-13(29(26,27)23-9-3-4-10-23)11-16(15)22-20(25)19-12-17(24)14-5-1-2-6-18(14)28-19/h1-2,5-8,11-12H,3-4,9-10H2,(H,22,25)
InChIKeyFENPORANKVUGIL-UHFFFAOYSA-N
MW432.89 g/mol
LogP3.48
Rot. Bonds4

About N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide

N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide (PubChem CID 4077487) has the molecular formula C20H17ClN2O5S and a molecular weight of 432.89 g/mol. Its IUPAC name is N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide
PubChem CID4077487
Molecular FormulaC20H17ClN2O5S
Molecular Weight432.89 g/mol
Exact Mass432.05
IUPAC NameN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H17ClN2O5S/c21-15-8-7-13(29(26,27)23-9-3-4-10-23)11-16(15)22-20(25)19-12-17(24)14-5-1-2-6-18(14)28-19/h1-2,5-8,11-12H,3-4,9-10H2,(H,22,25)
InChIKeyFENPORANKVUGIL-UHFFFAOYSA-N
XLogP3.48
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
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CID 4799236
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-oxochromene-2-carboxylate
CID 46788299
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
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N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 6459741
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
CID 9362905
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-phenylsulfanylacetamide
CID 3984580
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
CID 40775940
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-methylfuran-2-carboxamide
CID 108791562
N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 47026428
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 40987351
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3312619

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide (CID 4077487) is N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is FENPORANKVUGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5S/c21-15-8-7-13(29(26,27)23-9-3-4-10-23)11-16(15)22-20(25)19-12-17(24)14-5-1-2-6-18(14)28-19/h1-2,5-8,11-12H,3-4,9-10H2,(H,22,25).
What are the key properties of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide?
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide has a molecular weight of 432.89 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4077487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).