4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide

C17H19ClN2O4S — CID 11361076

IUPAC4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(Cl)c(COCC(=O)c2ccccn2)c1
InChIInChI=1S/C17H19ClN2O4S/c1-3-20(2)25(22,23)14-7-8-15(18)13(10-14)11-24-12-17(21)16-6-4-5-9-19-16/h4-10H,3,11-12H2,1-2H3
InChIKeyFGQXWYZORQZBMD-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.77
Rot. Bonds8

About 4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide

4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide (PubChem CID 11361076) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide
PubChem CID11361076
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(Cl)c(COCC(=O)c2ccccn2)c1
InChIInChI=1S/C17H19ClN2O4S/c1-3-20(2)25(22,23)14-7-8-15(18)13(10-14)11-24-12-17(21)16-6-4-5-9-19-16/h4-10H,3,11-12H2,1-2H3
InChIKeyFGQXWYZORQZBMD-UHFFFAOYSA-N
XLogP2.77
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide
CID 70702246
N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide
CID 9401971
3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107090630
3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564918
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26880756
2-(4-methylsulfonylphenyl)-1-pyridin-2-ylethanone
CID 22350079
2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide
CID 86610183
3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 107091204
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 4790073
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide (CID 11361076) is 4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide is CCN(C)S(=O)(=O)c1ccc(Cl)c(COCC(=O)c2ccccn2)c1.
What is the InChIKey of 4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide?
The InChIKey is FGQXWYZORQZBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-3-20(2)25(22,23)14-7-8-15(18)13(10-14)11-24-12-17(21)16-6-4-5-9-19-16/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide?
4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide has a molecular weight of 382.87 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide is sourced from PubChem (CID 11361076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).