2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide

C15H20F2N2O3S — CID 146122653

IUPAC2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C15H20F2N2O3S/c1-11-4-3-8-19(9-7-11)14(20)10-18-23(21,22)15-12(16)5-2-6-13(15)17/h2,5-6,11,18H,3-4,7-10H2,1H3
InChIKeyKFJBNILUHMIJQH-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.89
Rot. Bonds4

About 2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide

2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 146122653) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID146122653
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C15H20F2N2O3S/c1-11-4-3-8-19(9-7-11)14(20)10-18-23(21,22)15-12(16)5-2-6-13(15)17/h2,5-6,11,18H,3-4,7-10H2,1H3
InChIKeyKFJBNILUHMIJQH-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 90586387
2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 90586879
2,6-difluoro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8713521
2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90590475
4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995681
4-tert-butyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112991053
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 118398596
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112991023
5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5056774
2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 9301380
4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995708

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide (CID 146122653) is 2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide is CC1CCCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is KFJBNILUHMIJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-11-4-3-8-19(9-7-11)14(20)10-18-23(21,22)15-12(16)5-2-6-13(15)17/h2,5-6,11,18H,3-4,7-10H2,1H3.
What are the key properties of 2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide?
2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 346.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 146122653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).