(2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide

C14H16ClN3O5S — CID 97185652

IUPAC(2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C14H16ClN3O5S/c15-8-5-9-11(23-7-13(19)17-9)6-12(8)24(21,22)18-4-2-1-3-10(18)14(16)20/h5-6,10H,1-4,7H2,(H2,16,20)(H,17,19)/t10-/m1/s1
InChIKeyLMEJOHLRRDARLF-SNVBAGLBSA-N
MW373.82 g/mol
LogP0.70
Rot. Bonds3

About (2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide

(2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide (PubChem CID 97185652) has the molecular formula C14H16ClN3O5S and a molecular weight of 373.82 g/mol. Its IUPAC name is (2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide
PubChem CID97185652
Molecular FormulaC14H16ClN3O5S
Molecular Weight373.82 g/mol
Exact Mass373.05
IUPAC Name(2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C14H16ClN3O5S/c15-8-5-9-11(23-7-13(19)17-9)6-12(8)24(21,22)18-4-2-1-3-10(18)14(16)20/h5-6,10H,1-4,7H2,(H2,16,20)(H,17,19)/t10-/m1/s1
InChIKeyLMEJOHLRRDARLF-SNVBAGLBSA-N
XLogP0.70
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 92863811
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-cycloheptylpyrrolidine-2-carboxamide
CID 53068394
(2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-cyclohexyl-N-methylpyrrolidine-2-carboxamide
CID 93065719
(2S,3aS,7aR)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 124721438
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-cyclopentylpiperidine-4-carboxamide
CID 46288738
6-chloro-7-[(2S)-2-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 93065712
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 53068408
ethyl 1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxylate
CID 22548318
6-chloro-7-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 92865828
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-cycloheptylpiperidine-3-carboxamide
CID 50764500
(2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 95068494
(2S)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 95068544

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide (CID 97185652) is (2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide is NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2.
What is the InChIKey of (2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide?
The InChIKey is LMEJOHLRRDARLF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16ClN3O5S/c15-8-5-9-11(23-7-13(19)17-9)6-12(8)24(21,22)18-4-2-1-3-10(18)14(16)20/h5-6,10H,1-4,7H2,(H2,16,20)(H,17,19)/t10-/m1/s1.
What are the key properties of (2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide?
(2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide is sourced from PubChem (CID 97185652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).