N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

C19H21F2N3O5S2 — CID 55623713

IUPACN-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21F2N3O5S2/c1-22(30(26,27)15-6-3-2-4-7-15)14-18(25)23-10-12-24(13-11-23)31(28,29)19-16(20)8-5-9-17(19)21/h2-9H,10-14H2,1H3
InChIKeySGILILOMCXXUKE-UHFFFAOYSA-N
MW473.52 g/mol
LogP1.12
Rot. Bonds6

About N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 55623713) has the molecular formula C19H21F2N3O5S2 and a molecular weight of 473.52 g/mol. Its IUPAC name is N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID55623713
Molecular FormulaC19H21F2N3O5S2
Molecular Weight473.52 g/mol
Exact Mass473.09
IUPAC NameN-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21F2N3O5S2/c1-22(30(26,27)15-6-3-2-4-7-15)14-18(25)23-10-12-24(13-11-23)31(28,29)19-16(20)8-5-9-17(19)21/h2-9H,10-14H2,1H3
InChIKeySGILILOMCXXUKE-UHFFFAOYSA-N
XLogP1.12
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl(methyl)amino]-1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 112804371
2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967328
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 2941900
N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 24537457
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 4824777
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9429043
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
N-methyl-N-[2-oxo-2-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethyl]pyridine-3-sulfonamide
CID 55666815
4-fluoro-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 895452
2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60627449
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 4213467
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 8908808

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 55623713) is N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is CN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is SGILILOMCXXUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O5S2/c1-22(30(26,27)15-6-3-2-4-7-15)14-18(25)23-10-12-24(13-11-23)31(28,29)19-16(20)8-5-9-17(19)21/h2-9H,10-14H2,1H3.
What are the key properties of N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 473.52 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 55623713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).