N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide

C14H20ClN3O3S — CID 119378427

IUPACN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCCC(N)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O3S/c1-17(10-14(19)18-8-2-3-12(16)9-18)22(20,21)13-6-4-11(15)5-7-13/h4-7,12H,2-3,8-10,16H2,1H3
InChIKeyXGLUXHXLYHHKQF-UHFFFAOYSA-N
MW345.85 g/mol
LogP0.91
Rot. Bonds4

About N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide

N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide (PubChem CID 119378427) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
PubChem CID119378427
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC NameN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCCC(N)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O3S/c1-17(10-14(19)18-8-2-3-12(16)9-18)22(20,21)13-6-4-11(15)5-7-13/h4-7,12H,2-3,8-10,16H2,1H3
InChIKeyXGLUXHXLYHHKQF-UHFFFAOYSA-N
XLogP0.91
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119484347
ethyl (3S)-1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]piperidine-3-carboxylate
CID 2485823
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-N-methyl-3-nitrobenzenesulfonamide
CID 119378879
4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 119645347
4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid
CID 119238890
(3S,4S)-1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952806
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119467147
2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 8008277
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 119379820
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 120805147
N-methyl-N-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51884778

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide (CID 119378427) is N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide is CN(CC(=O)N1CCCC(N)C1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide?
The InChIKey is XGLUXHXLYHHKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c1-17(10-14(19)18-8-2-3-12(16)9-18)22(20,21)13-6-4-11(15)5-7-13/h4-7,12H,2-3,8-10,16H2,1H3.
What are the key properties of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide?
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide has a molecular weight of 345.85 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 119378427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).