1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide

C19H19ClN2O4S — CID 138996885

IUPAC1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCCc2[nH]c(=O)ccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN2O4S/c20-12-4-6-13(7-5-12)27(25,26)19(10-11-19)18(24)22-16-3-1-2-15-14(16)8-9-17(23)21-15/h4-9,16H,1-3,10-11H2,(H,21,23)(H,22,24)
InChIKeyRFAVYXKVKQJOFW-UHFFFAOYSA-N
MW406.89 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide (PubChem CID 138996885) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide
PubChem CID138996885
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCCc2[nH]c(=O)ccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN2O4S/c20-12-4-6-13(7-5-12)27(25,26)19(10-11-19)18(24)22-16-3-1-2-15-14(16)8-9-17(23)21-15/h4-9,16H,1-3,10-11H2,(H,21,23)(H,22,24)
InChIKeyRFAVYXKVKQJOFW-UHFFFAOYSA-N
XLogP2.53
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide
CID 95313899
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
3,3-dicyclopropyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)propanamide
CID 48591784
1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 139008656
5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108138
5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 115358998
1-(4-chlorophenyl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 37077615
N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95596132
5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108121
1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 78840798
2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 139008161
5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103781006

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide (CID 138996885) is 1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide is O=C(NC1CCCc2[nH]c(=O)ccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is RFAVYXKVKQJOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c20-12-4-6-13(7-5-12)27(25,26)19(10-11-19)18(24)22-16-3-1-2-15-14(16)8-9-17(23)21-15/h4-9,16H,1-3,10-11H2,(H,21,23)(H,22,24).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 406.89 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138996885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).