N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide

C15H19ClN2O4S — CID 17475932

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCC1
InChIInChI=1S/C15H19ClN2O4S/c16-13-5-4-12(23(20,21)18-6-8-22-9-7-18)10-14(13)17-15(19)11-2-1-3-11/h4-5,10-11H,1-3,6-9H2,(H,17,19)
InChIKeyKQMUPJYIJLUMLR-UHFFFAOYSA-N
MW358.85 g/mol
LogP2.10
Rot. Bonds4

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide (PubChem CID 17475932) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
PubChem CID17475932
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCC1
InChIInChI=1S/C15H19ClN2O4S/c16-13-5-4-12(23(20,21)18-6-8-22-9-7-18)10-14(13)17-15(19)11-2-1-3-11/h4-5,10-11H,1-3,6-9H2,(H,17,19)
InChIKeyKQMUPJYIJLUMLR-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 108792177
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea
CID 8625090
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
1-acetyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 9460845
(2R)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-methylpiperidine-1-carbothioamide
CID 8625398
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077
N-[(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 4056583
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-4-methylpiperidine-1-carbothioamide
CID 8617841
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 8903917
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide (CID 17475932) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCC1.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide?
The InChIKey is KQMUPJYIJLUMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4S/c16-13-5-4-12(23(20,21)18-6-8-22-9-7-18)10-14(13)17-15(19)11-2-1-3-11/h4-5,10-11H,1-3,6-9H2,(H,17,19).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide has a molecular weight of 358.85 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 17475932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).