1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine

C15H16ClN3O5S — CID 166246994

IUPAC1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine
SMILESNS(=O)(=O)NC1CCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C15H16ClN3O5S/c16-9-1-2-13-11(7-9)12(20)8-14(24-13)15(21)19-5-3-10(4-6-19)18-25(17,22)23/h1-2,7-8,10,18H,3-6H2,(H2,17,22,23)
InChIKeyKSQXEYAFNQKZNL-UHFFFAOYSA-N
MW385.83 g/mol
LogP0.84
Rot. Bonds3

About 1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine

1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine (PubChem CID 166246994) has the molecular formula C15H16ClN3O5S and a molecular weight of 385.83 g/mol. Its IUPAC name is 1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine.

Molecular Properties

Compound Name1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine
PubChem CID166246994
Molecular FormulaC15H16ClN3O5S
Molecular Weight385.83 g/mol
Exact Mass385.05
IUPAC Name1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine
SMILESNS(=O)(=O)NC1CCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C15H16ClN3O5S/c16-9-1-2-13-11(7-9)12(20)8-14(24-13)15(21)19-5-3-10(4-6-19)18-25(17,22)23/h1-2,7-8,10,18H,3-6H2,(H2,17,22,23)
InChIKeyKSQXEYAFNQKZNL-UHFFFAOYSA-N
XLogP0.84
TPSA122.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one
CID 29201274
6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one
CID 90495108
5-methyl-2-[4-(sulfamoylamino)piperidine-1-carbonyl]furo[3,2-b]pyridine
CID 167911199
6-chloro-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-4-one
CID 9226731
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 119518615
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623310
6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877268
2-[4-(2-methylpropylsulfonyl)piperidine-1-carbonyl]chromen-4-one
CID 90590040
[2-(azocan-1-yl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8541005
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877271

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine?
The IUPAC name of 1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine (CID 166246994) is 1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine.
What is the SMILES notation for 1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine?
The canonical SMILES for 1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine is NS(=O)(=O)NC1CCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)CC1.
What is the InChIKey of 1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine?
The InChIKey is KSQXEYAFNQKZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O5S/c16-9-1-2-13-11(7-9)12(20)8-14(24-13)15(21)19-5-3-10(4-6-19)18-25(17,22)23/h1-2,7-8,10,18H,3-6H2,(H2,17,22,23).
What are the key properties of 1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine?
1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine has a molecular weight of 385.83 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine is sourced from PubChem (CID 166246994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).