2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide

C15H20Cl2N2O3S — CID 8008277

IUPAC2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESC[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H20Cl2N2O3S/c1-11-4-3-7-19(9-11)15(20)10-18(2)23(21,22)14-8-12(16)5-6-13(14)17/h5-6,8,11H,3-4,7,9-10H2,1-2H3/t11-/m0/s1
InChIKeyAJHAYGAHNGDQLT-NSHDSACASA-N
MW379.31 g/mol
LogP2.87
Rot. Bonds4

About 2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide

2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 8008277) has the molecular formula C15H20Cl2N2O3S and a molecular weight of 379.31 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID8008277
Molecular FormulaC15H20Cl2N2O3S
Molecular Weight379.31 g/mol
Exact Mass378.06
IUPAC Name2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESC[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H20Cl2N2O3S/c1-11-4-3-7-19(9-11)15(20)10-18(2)23(21,22)14-8-12(16)5-6-13(14)17/h5-6,8,11H,3-4,7,9-10H2,1-2H3/t11-/m0/s1
InChIKeyAJHAYGAHNGDQLT-NSHDSACASA-N
XLogP2.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 6554374
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 1315364
5-chloro-2-methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 6493711
N-methyl-N-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51884778
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7918992
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119378427
3,4-dimethoxy-N-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133186776
N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113133995
2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 154873747
4-chloro-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967488
1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide
CID 20901752
2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
CID 112779660

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 8008277) is 2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide is C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is AJHAYGAHNGDQLT-NSHDSACASA-N. The full InChI is InChI=1S/C15H20Cl2N2O3S/c1-11-4-3-7-19(9-11)15(20)10-18(2)23(21,22)14-8-12(16)5-6-13(14)17/h5-6,8,11H,3-4,7,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 379.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 8008277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).