2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide

C17H21ClN2O4S — CID 17452404

IUPAC2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1=C(Cl)CCCC1
InChIInChI=1S/C17H21ClN2O4S/c18-16-7-2-1-6-15(16)17(21)19-13-4-3-5-14(12-13)25(22,23)20-8-10-24-11-9-20/h3-5,12H,1-2,6-11H2,(H,19,21)
InChIKeyCFQUZLOCPJXLIW-UHFFFAOYSA-N
MW384.89 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide

2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide (PubChem CID 17452404) has the molecular formula C17H21ClN2O4S and a molecular weight of 384.89 g/mol. Its IUPAC name is 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide
PubChem CID17452404
Molecular FormulaC17H21ClN2O4S
Molecular Weight384.89 g/mol
Exact Mass384.09
IUPAC Name2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1=C(Cl)CCCC1
InChIInChI=1S/C17H21ClN2O4S/c18-16-7-2-1-6-15(16)17(21)19-13-4-3-5-14(12-13)25(22,23)20-8-10-24-11-9-20/h3-5,12H,1-2,6-11H2,(H,19,21)
InChIKeyCFQUZLOCPJXLIW-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
1-(4-chlorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 17477829
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide
CID 17145961
4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26590050
(1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 7925606

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide?
The IUPAC name of 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide (CID 17452404) is 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide?
The canonical SMILES for 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1=C(Cl)CCCC1.
What is the InChIKey of 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide?
The InChIKey is CFQUZLOCPJXLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S/c18-16-7-2-1-6-15(16)17(21)19-13-4-3-5-14(12-13)25(22,23)20-8-10-24-11-9-20/h3-5,12H,1-2,6-11H2,(H,19,21).
What are the key properties of 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide?
2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide is sourced from PubChem (CID 17452404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).