N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide

C16H21ClN2O4S — CID 48734265

IUPACN-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(=O)C2Cc3cc(Cl)ccc3O2)CC1)S(C)(=O)=O
InChIInChI=1S/C16H21ClN2O4S/c1-18(24(2,21)22)13-5-7-19(8-6-13)16(20)15-10-11-9-12(17)3-4-14(11)23-15/h3-4,9,13,15H,5-8,10H2,1-2H3
InChIKeyQKZCZHDYFSVLCU-UHFFFAOYSA-N
MW372.87 g/mol
LogP1.53
Rot. Bonds3

About N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 48734265) has the molecular formula C16H21ClN2O4S and a molecular weight of 372.87 g/mol. Its IUPAC name is N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID48734265
Molecular FormulaC16H21ClN2O4S
Molecular Weight372.87 g/mol
Exact Mass372.09
IUPAC NameN-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(=O)C2Cc3cc(Cl)ccc3O2)CC1)S(C)(=O)=O
InChIInChI=1S/C16H21ClN2O4S/c1-18(24(2,21)22)13-5-7-19(8-6-13)16(20)15-10-11-9-12(17)3-4-14(11)23-15/h3-4,9,13,15H,5-8,10H2,1-2H3
InChIKeyQKZCZHDYFSVLCU-UHFFFAOYSA-N
XLogP1.53
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[1-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methanone
CID 41061706
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-thiomorpholin-4-ylmethanone
CID 56813512
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 125134561
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224224
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-(3-methylpiperazin-1-yl)methanone
CID 119580632
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 125135536
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994462
5-chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid;(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone;ethane;1-methylpiperazine
CID 159058059
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 125134281
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55455781
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 167880133

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide (CID 48734265) is N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide is CN(C1CCN(C(=O)C2Cc3cc(Cl)ccc3O2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is QKZCZHDYFSVLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4S/c1-18(24(2,21)22)13-5-7-19(8-6-13)16(20)15-10-11-9-12(17)3-4-14(11)23-15/h3-4,9,13,15H,5-8,10H2,1-2H3.
What are the key properties of N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 372.87 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 48734265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).