N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide

C17H16ClN3O3S — CID 123283136

IUPACN-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2c1cncc2N1Cc2cc(Cl)ccc2C1=O
InChIInChI=1S/C17H16ClN3O3S/c1-25(23,24)20-15-5-4-13-14(15)7-19-8-16(13)21-9-10-6-11(18)2-3-12(10)17(21)22/h2-3,6-8,15,20H,4-5,9H2,1H3
InChIKeyDSZJNPOCROOYAT-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.43
Rot. Bonds3

About N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide

N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide (PubChem CID 123283136) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide
PubChem CID123283136
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC NameN-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2c1cncc2N1Cc2cc(Cl)ccc2C1=O
InChIInChI=1S/C17H16ClN3O3S/c1-25(23,24)20-15-5-4-13-14(15)7-19-8-16(13)21-9-10-6-11(18)2-3-12(10)17(21)22/h2-3,6-8,15,20H,4-5,9H2,1H3
InChIKeyDSZJNPOCROOYAT-UHFFFAOYSA-N
XLogP2.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-methylphenyl)-5-chloro-3H-isoindol-1-one
CID 66606501
N-[(8R)-4-[(1S)-6-chloro-3-oxo-1-prop-1-en-2-yl-1H-isoindol-2-yl]-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 154934813
6-chloro-2-[5-[(1-cyclopropylsulfonylazetidin-3-yl)amino]-3-pyridinyl]-3,4-dihydroisoquinolin-1-one
CID 86294701
5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one
CID 86343093
N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 165486716
5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one
CID 154934904
5-(6-chloro-3-oxo-1H-isoindol-2-yl)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 172853148
6-chloro-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-3,4-dihydroisoquinolin-1-one
CID 86685963
2-[5-[(1-acetylazetidin-3-yl)methyl]-3-pyridinyl]-6-chloro-3,4-dihydroisoquinolin-1-one
CID 159556291
6-chloro-2-(5-methylsulfinyl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one
CID 86685996
2-(5-chloro-2-pyridinyl)-5-methyl-3H-isoindol-1-one
CID 71084137
6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84624500

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide?
The IUPAC name of N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide (CID 123283136) is N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide?
The canonical SMILES for N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide is CS(=O)(=O)NC1CCc2c1cncc2N1Cc2cc(Cl)ccc2C1=O.
What is the InChIKey of N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide?
The InChIKey is DSZJNPOCROOYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-25(23,24)20-15-5-4-13-14(15)7-19-8-16(13)21-9-10-6-11(18)2-3-12(10)17(21)22/h2-3,6-8,15,20H,4-5,9H2,1H3.
What are the key properties of N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide?
N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide has a molecular weight of 377.85 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide is sourced from PubChem (CID 123283136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).